4-bromo-5-chloro-2-fluorobenzamide;tert-butyl-chloro-diphenylsilane;4-[2-[tert-butyl(diphenyl)silyl]oxy-6-fluorophenyl]-5-chloro-N-(2,2-dimethylpropylcarbamoyl)-2-fluorobenzamide;7-[2-[tert-butyl(diphenyl)silyl]oxy-6-fluorophenyl]-6-chloro-1-(2,2-dimethylpropyl)quinazoline-2,4-dione;4-[2-[tert-butyl(diphenyl)silyl]oxy-6-fluorophenyl]-5-chloro-2-fluorobenzamide;7-[2-[tert-butyl(diphenyl)silyl]oxy-6-fluorophenyl]-4,6-dichloro-1-(2,2-dimethylpropyl)quinazolin-2-one;5-chloro-2-fluoro-4-(2-fluoro-6-hydroxyphenyl)benzamide;2,2-dimethylpropan-1-amine;(2-fluoro-6-hydroxyphenyl)boronic acid;1-[(3S)-3-methylpiperazin-1-yl]prop-2-en-1-one

C189H198BBrCl8F10N12O17Si5 — CID 160765273

IUPAC4-bromo-5-chloro-2-fluorobenzamide;tert-butyl-chloro-diphenylsilane;4-[2-[tert-butyl(diphenyl)silyl]oxy-6-fluorophenyl]-5-chloro-N-(2,2-dimethylpropylcarbamoyl)-2-fluorobenzamide;7-[2-[tert-butyl(diphenyl)silyl]oxy-6-fluorophenyl]-6-chloro-1-(2,2-dimethylpropyl)quinazoline-2,4-dione;4-[2-[tert-butyl(diphenyl)silyl]oxy-6-fluorophenyl]-5-chloro-2-fluorobenzamide;7-[2-[tert-butyl(diphenyl)silyl]oxy-6-fluorophenyl]-4,6-dichloro-1-(2,2-dimethylpropyl)quinazolin-2-one;5-chloro-2-fluoro-4-(2-fluoro-6-hydroxyphenyl)benzamide;2,2-dimethylpropan-1-amine;(2-fluoro-6-hydroxyphenyl)boronic acid;1-[(3S)-3-methylpiperazin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCN[C@@H](C)C1.CC(C)(C)CN.CC(C)(C)CNC(=O)NC(=O)c1cc(Cl)c(-c2c(F)cccc2O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc1F.CC(C)(C)Cn1c(=O)[nH]c(=O)c2cc(Cl)c(-c3c(F)cccc3O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)cc21.CC(C)(C)Cn1c(=O)nc(Cl)c2cc(Cl)c(-c3c(F)cccc3O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)cc21.CC(C)(C)[Si](Cl)(c1ccccc1)c1ccccc1.CC(C)(C)[Si](Oc1cccc(F)c1-c1cc(F)c(C(N)=O)cc1Cl)(c1ccccc1)c1ccccc1.NC(=O)c1cc(Cl)c(-c2c(O)cccc2F)cc1F.NC(=O)c1cc(Cl)c(Br)cc1F.OB(O)c1c(O)cccc1F
InChIInChI=1S/C35H35Cl2FN2O2Si.C35H37ClF2N2O3Si.C35H36ClFN2O3Si.C29H26ClF2NO2Si.C16H19ClSi.C13H8ClF2NO2.C8H14N2O.C7H4BrClFNO.C6H6BFO3.C5H13N/c1-34(2,3)22-40-29-21-25(27(36)20-26(29)32(37)39-33(40)41)31-28(38)18-13-19-30(31)42-43(35(4,5)6,23-14-9-7-10-15-23)24-16-11-8-12-17-24;1-34(2,3)22-39-33(42)40-32(41)26-20-27(36)25(21-29(26)38)31-28(37)18-13-19-30(31)43-44(35(4,5)6,23-14-9-7-10-15-23)24-16-11-8-12-17-24;1-34(2,3)22-39-29-21-25(27(36)20-26(29)32(40)38-33(39)41)31-28(37)18-13-19-30(31)42-43(35(4,5)6,23-14-9-7-10-15-23)24-16-11-8-12-17-24;1-29(2,3)36(19-11-6-4-7-12-19,20-13-8-5-9-14-20)35-26-16-10-15-24(31)27(26)21-18-25(32)22(28(33)34)17-23(21)30;1-16(2,3)18(17,14-10-6-4-7-11-14)15-12-8-5-9-13-15;14-8-4-7(13(17)19)10(16)5-6(8)12-9(15)2-1-3-11(12)18;1-3-8(11)10-5-4-9-7(2)6-10;8-4-2-6(10)3(7(11)12)1-5(4)9;8-4-2-1-3-5(9)6(4)7(10)11;1-5(2,3)4-6/h7-21H,22H2,1-6H3;7-21H,22H2,1-6H3,(H2,39,40,41,42);7-21H,22H2,1-6H3,(H,38,40,41);4-18H,1-3H3,(H2,33,34);4-13H,1-3H3;1-5,18H,(H2,17,19);3,7,9H,1,4-6H2,2H3;1-2H,(H2,11,12);1-3,9-11H;4,6H2,1-3H3/t;;;;;;7-;;;/m......0.../s1
InChIKeyRYPKAGQEVOIFET-OTJNCCNMSA-N
MW3614.48 g/mol
LogP39.07
Rot. Bonds32

About 4-bromo-5-chloro-2-fluorobenzamide;tert-butyl-chloro-diphenylsilane;4-[2-[tert-butyl(diphenyl)silyl]oxy-6-fluorophenyl]-5-chloro-N-(2,2-dimethylpropylcarbamoyl)-2-fluorobenzamide;7-[2-[tert-butyl(diphenyl)silyl]oxy-6-fluorophenyl]-6-chloro-1-(2,2-dimethylpropyl)quinazoline-2,4-dione;4-[2-[tert-butyl(diphenyl)silyl]oxy-6-fluorophenyl]-5-chloro-2-fluorobenzamide;7-[2-[tert-butyl(diphenyl)silyl]oxy-6-fluorophenyl]-4,6-dichloro-1-(2,2-dimethylpropyl)quinazolin-2-one;5-chloro-2-fluoro-4-(2-fluoro-6-hydroxyphenyl)benzamide;2,2-dimethylpropan-1-amine;(2-fluoro-6-hydroxyphenyl)boronic acid;1-[(3S)-3-methylpiperazin-1-yl]prop-2-en-1-one

4-bromo-5-chloro-2-fluorobenzamide;tert-butyl-chloro-diphenylsilane;4-[2-[tert-butyl(diphenyl)silyl]oxy-6-fluorophenyl]-5-chloro-N-(2,2-dimethylpropylcarbamoyl)-2-fluorobenzamide;7-[2-[tert-butyl(diphenyl)silyl]oxy-6-fluorophenyl]-6-chloro-1-(2,2-dimethylpropyl)quinazoline-2,4-dione;4-[2-[tert-butyl(diphenyl)silyl]oxy-6-fluorophenyl]-5-chloro-2-fluorobenzamide;7-[2-[tert-butyl(diphenyl)silyl]oxy-6-fluorophenyl]-4,6-dichloro-1-(2,2-dimethylpropyl)quinazolin-2-one;5-chloro-2-fluoro-4-(2-fluoro-6-hydroxyphenyl)benzamide;2,2-dimethylpropan-1-amine;(2-fluoro-6-hydroxyphenyl)boronic acid;1-[(3S)-3-methylpiperazin-1-yl]prop-2-en-1-one (PubChem CID 160765273) has the molecular formula C189H198BBrCl8F10N12O17Si5 and a molecular weight of 3614.48 g/mol. Its IUPAC name is 4-bromo-5-chloro-2-fluorobenzamide;tert-butyl-chloro-diphenylsilane;4-[2-[tert-butyl(diphenyl)silyl]oxy-6-fluorophenyl]-5-chloro-N-(2,2-dimethylpropylcarbamoyl)-2-fluorobenzamide;7-[2-[tert-butyl(diphenyl)silyl]oxy-6-fluorophenyl]-6-chloro-1-(2,2-dimethylpropyl)quinazoline-2,4-dione;4-[2-[tert-butyl(diphenyl)silyl]oxy-6-fluorophenyl]-5-chloro-2-fluorobenzamide;7-[2-[tert-butyl(diphenyl)silyl]oxy-6-fluorophenyl]-4,6-dichloro-1-(2,2-dimethylpropyl)quinazolin-2-one;5-chloro-2-fluoro-4-(2-fluoro-6-hydroxyphenyl)benzamide;2,2-dimethylpropan-1-amine;(2-fluoro-6-hydroxyphenyl)boronic acid;1-[(3S)-3-methylpiperazin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name4-bromo-5-chloro-2-fluorobenzamide;tert-butyl-chloro-diphenylsilane;4-[2-[tert-butyl(diphenyl)silyl]oxy-6-fluorophenyl]-5-chloro-N-(2,2-dimethylpropylcarbamoyl)-2-fluorobenzamide;7-[2-[tert-butyl(diphenyl)silyl]oxy-6-fluorophenyl]-6-chloro-1-(2,2-dimethylpropyl)quinazoline-2,4-dione;4-[2-[tert-butyl(diphenyl)silyl]oxy-6-fluorophenyl]-5-chloro-2-fluorobenzamide;7-[2-[tert-butyl(diphenyl)silyl]oxy-6-fluorophenyl]-4,6-dichloro-1-(2,2-dimethylpropyl)quinazolin-2-one;5-chloro-2-fluoro-4-(2-fluoro-6-hydroxyphenyl)benzamide;2,2-dimethylpropan-1-amine;(2-fluoro-6-hydroxyphenyl)boronic acid;1-[(3S)-3-methylpiperazin-1-yl]prop-2-en-1-one
PubChem CID160765273
Molecular FormulaC189H198BBrCl8F10N12O17Si5
Molecular Weight3614.48 g/mol
Exact Mass3607.05
IUPAC Name4-bromo-5-chloro-2-fluorobenzamide;tert-butyl-chloro-diphenylsilane;4-[2-[tert-butyl(diphenyl)silyl]oxy-6-fluorophenyl]-5-chloro-N-(2,2-dimethylpropylcarbamoyl)-2-fluorobenzamide;7-[2-[tert-butyl(diphenyl)silyl]oxy-6-fluorophenyl]-6-chloro-1-(2,2-dimethylpropyl)quinazoline-2,4-dione;4-[2-[tert-butyl(diphenyl)silyl]oxy-6-fluorophenyl]-5-chloro-2-fluorobenzamide;7-[2-[tert-butyl(diphenyl)silyl]oxy-6-fluorophenyl]-4,6-dichloro-1-(2,2-dimethylpropyl)quinazolin-2-one;5-chloro-2-fluoro-4-(2-fluoro-6-hydroxyphenyl)benzamide;2,2-dimethylpropan-1-amine;(2-fluoro-6-hydroxyphenyl)boronic acid;1-[(3S)-3-methylpiperazin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCN[C@@H](C)C1.CC(C)(C)CN.CC(C)(C)CNC(=O)NC(=O)c1cc(Cl)c(-c2c(F)cccc2O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc1F.CC(C)(C)Cn1c(=O)[nH]c(=O)c2cc(Cl)c(-c3c(F)cccc3O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)cc21.CC(C)(C)Cn1c(=O)nc(Cl)c2cc(Cl)c(-c3c(F)cccc3O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)cc21.CC(C)(C)[Si](Cl)(c1ccccc1)c1ccccc1.CC(C)(C)[Si](Oc1cccc(F)c1-c1cc(F)c(C(N)=O)cc1Cl)(c1ccccc1)c1ccccc1.NC(=O)c1cc(Cl)c(-c2c(O)cccc2F)cc1F.NC(=O)c1cc(Cl)c(Br)cc1F.OB(O)c1c(O)cccc1F
InChIInChI=1S/C35H35Cl2FN2O2Si.C35H37ClF2N2O3Si.C35H36ClFN2O3Si.C29H26ClF2NO2Si.C16H19ClSi.C13H8ClF2NO2.C8H14N2O.C7H4BrClFNO.C6H6BFO3.C5H13N/c1-34(2,3)22-40-29-21-25(27(36)20-26(29)32(37)39-33(40)41)31-28(38)18-13-19-30(31)42-43(35(4,5)6,23-14-9-7-10-15-23)24-16-11-8-12-17-24;1-34(2,3)22-39-33(42)40-32(41)26-20-27(36)25(21-29(26)38)31-28(37)18-13-19-30(31)43-44(35(4,5)6,23-14-9-7-10-15-23)24-16-11-8-12-17-24;1-34(2,3)22-39-29-21-25(27(36)20-26(29)32(40)38-33(39)41)31-28(37)18-13-19-30(31)42-43(35(4,5)6,23-14-9-7-10-15-23)24-16-11-8-12-17-24;1-29(2,3)36(19-11-6-4-7-12-19,20-13-8-5-9-14-20)35-26-16-10-15-24(31)27(26)21-18-25(32)22(28(33)34)17-23(21)30;1-16(2,3)18(17,14-10-6-4-7-11-14)15-12-8-5-9-13-15;14-8-4-7(13(17)19)10(16)5-6(8)12-9(15)2-1-3-11(12)18;1-3-8(11)10-5-4-9-7(2)6-10;8-4-2-6(10)3(7(11)12)1-5(4)9;8-4-2-1-3-5(9)6(4)7(10)11;1-5(2,3)4-6/h7-21H,22H2,1-6H3;7-21H,22H2,1-6H3,(H2,39,40,41,42);7-21H,22H2,1-6H3,(H,38,40,41);4-18H,1-3H3,(H2,33,34);4-13H,1-3H3;1-5,18H,(H2,17,19);3,7,9H,1,4-6H2,2H3;1-2H,(H2,11,12);1-3,9-11H;4,6H2,1-3H3/t;;;;;;7-;;;/m......0.../s1
InChIKeyRYPKAGQEVOIFET-OTJNCCNMSA-N
XLogP39.07
TPSA453.42 Ų
H-Bond Donors12
H-Bond Acceptors22
Rotatable Bonds32
Heavy Atoms243
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003614.48
LogP ≤ 539.07
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

Analyze 4-bromo-5-chloro-2-fluorobenzamide;tert-butyl-chloro-diphenylsilane;4-[2-[tert-butyl(diphenyl)silyl]oxy-6-fluorophenyl]-5-chloro-N-(2,2-dimethylpropylcarbamoyl)-2-fluorobenzamide;7-[2-[tert-butyl(diphenyl)silyl]oxy-6-fluorophenyl]-6-chloro-1-(2,2-dimethylpropyl)quinazoline-2,4-dione;4-[2-[tert-butyl(diphenyl)silyl]oxy-6-fluorophenyl]-5-chloro-2-fluorobenzamide;7-[2-[tert-butyl(diphenyl)silyl]oxy-6-fluorophenyl]-4,6-dichloro-1-(2,2-dimethylpropyl)quinazolin-2-one;5-chloro-2-fluoro-4-(2-fluoro-6-hydroxyphenyl)benzamide;2,2-dimethylpropan-1-amine;(2-fluoro-6-hydroxyphenyl)boronic acid;1-[(3S)-3-methylpiperazin-1-yl]prop-2-en-1-one with MolForge

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Related Compounds

4-bromo-5-chloro-N-[2-(2,6-diethylphenyl)acetyl]-2-fluorobenzamide;7-bromo-6-chloro-1-(2,6-diethylphenyl)quinazoline-2,4-dione;4-bromo-5-chloro-2-fluorobenzamide;tert-butyl (3S)-4-[7-bromo-6-chloro-1-(2,6-diethylphenyl)-2-oxoquinazolin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-3-methylpiperazine-1-carboxylate;2,6-diethylaniline;(2-fluorophenyl)boronic acid;4,6,7-trichloro-1-(2,6-diethylphenyl)quinazolin-2-one
CID 162263604
4-[2-[tert-butyl(diphenyl)silyl]oxy-6-fluorophenyl]-5-chloro-2-fluorobenzamide
CID 153278597
6-chloro-1-(2,2-dimethylpropyl)-7-(2-fluoro-6-hydroxyphenyl)-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-2-one;6-chloro-7-(2-fluorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-[2-(trifluoromethyl)phenyl]quinazolin-2-one
CID 161182787
CID 167583509
CID 167583509
disodium;4-bromo-5-chloro-2-fluorobenzamide;4-bromo-5-chloro-2-fluoro-N-[(2-propan-2-ylphenyl)carbamoyl]benzamide;7-bromo-6-chloro-1-(2-propan-2-ylphenyl)quinazoline-2,4-dione;7-bromo-4,6-dichloro-1-(2-propan-2-ylphenyl)quinazolin-2-one;tert-butyl 7-[7-bromo-6-chloro-2-oxo-1-(2-propan-2-ylphenyl)quinazolin-4-yl]-2,7-diazaspiro[3.5]nonane-2-carboxylate;tert-butyl 2,7-diazaspiro[3.5]nonane-2-carboxylate;hydride;(5-methyl-1H-indazol-4-yl)boronic acid;oxalyl dichloride;oxido formate;palladium;phosphoryl trichloride;2-propan-2-ylaniline;tetrakis(triphenylphosphane)
CID 165082316
CID 158899730
CID 158899730
CID 161202898
CID 161202898
CID 160801718
CID 160801718
7-chloro-6-fluoro-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one;(2-chloro-6-hydroxyphenyl)boronic acid;7-(2-chloro-6-hydroxyphenyl)-6-fluoro-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one
CID 157484104
2-[1-[6-chloro-1-(2,2-dimethylpropyl)-7-(2-fluorophenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-4-prop-2-enoylpiperazin-2-yl]acetonitrile
CID 164515233
CID 159919992
CID 159919992
6-chloro-1-(2,2-dimethylpropyl)-7-(2-fluorophenyl)-4-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-4-yl)-1,8-naphthyridin-2-one
CID 146235270

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-chloro-2-fluorobenzamide;tert-butyl-chloro-diphenylsilane;4-[2-[tert-butyl(diphenyl)silyl]oxy-6-fluorophenyl]-5-chloro-N-(2,2-dimethylpropylcarbamoyl)-2-fluorobenzamide;7-[2-[tert-butyl(diphenyl)silyl]oxy-6-fluorophenyl]-6-chloro-1-(2,2-dimethylpropyl)quinazoline-2,4-dione;4-[2-[tert-butyl(diphenyl)silyl]oxy-6-fluorophenyl]-5-chloro-2-fluorobenzamide;7-[2-[tert-butyl(diphenyl)silyl]oxy-6-fluorophenyl]-4,6-dichloro-1-(2,2-dimethylpropyl)quinazolin-2-one;5-chloro-2-fluoro-4-(2-fluoro-6-hydroxyphenyl)benzamide;2,2-dimethylpropan-1-amine;(2-fluoro-6-hydroxyphenyl)boronic acid;1-[(3S)-3-methylpiperazin-1-yl]prop-2-en-1-one?
The IUPAC name of 4-bromo-5-chloro-2-fluorobenzamide;tert-butyl-chloro-diphenylsilane;4-[2-[tert-butyl(diphenyl)silyl]oxy-6-fluorophenyl]-5-chloro-N-(2,2-dimethylpropylcarbamoyl)-2-fluorobenzamide;7-[2-[tert-butyl(diphenyl)silyl]oxy-6-fluorophenyl]-6-chloro-1-(2,2-dimethylpropyl)quinazoline-2,4-dione;4-[2-[tert-butyl(diphenyl)silyl]oxy-6-fluorophenyl]-5-chloro-2-fluorobenzamide;7-[2-[tert-butyl(diphenyl)silyl]oxy-6-fluorophenyl]-4,6-dichloro-1-(2,2-dimethylpropyl)quinazolin-2-one;5-chloro-2-fluoro-4-(2-fluoro-6-hydroxyphenyl)benzamide;2,2-dimethylpropan-1-amine;(2-fluoro-6-hydroxyphenyl)boronic acid;1-[(3S)-3-methylpiperazin-1-yl]prop-2-en-1-one (CID 160765273) is 4-bromo-5-chloro-2-fluorobenzamide;tert-butyl-chloro-diphenylsilane;4-[2-[tert-butyl(diphenyl)silyl]oxy-6-fluorophenyl]-5-chloro-N-(2,2-dimethylpropylcarbamoyl)-2-fluorobenzamide;7-[2-[tert-butyl(diphenyl)silyl]oxy-6-fluorophenyl]-6-chloro-1-(2,2-dimethylpropyl)quinazoline-2,4-dione;4-[2-[tert-butyl(diphenyl)silyl]oxy-6-fluorophenyl]-5-chloro-2-fluorobenzamide;7-[2-[tert-butyl(diphenyl)silyl]oxy-6-fluorophenyl]-4,6-dichloro-1-(2,2-dimethylpropyl)quinazolin-2-one;5-chloro-2-fluoro-4-(2-fluoro-6-hydroxyphenyl)benzamide;2,2-dimethylpropan-1-amine;(2-fluoro-6-hydroxyphenyl)boronic acid;1-[(3S)-3-methylpiperazin-1-yl]prop-2-en-1-one.
What is the SMILES notation for 4-bromo-5-chloro-2-fluorobenzamide;tert-butyl-chloro-diphenylsilane;4-[2-[tert-butyl(diphenyl)silyl]oxy-6-fluorophenyl]-5-chloro-N-(2,2-dimethylpropylcarbamoyl)-2-fluorobenzamide;7-[2-[tert-butyl(diphenyl)silyl]oxy-6-fluorophenyl]-6-chloro-1-(2,2-dimethylpropyl)quinazoline-2,4-dione;4-[2-[tert-butyl(diphenyl)silyl]oxy-6-fluorophenyl]-5-chloro-2-fluorobenzamide;7-[2-[tert-butyl(diphenyl)silyl]oxy-6-fluorophenyl]-4,6-dichloro-1-(2,2-dimethylpropyl)quinazolin-2-one;5-chloro-2-fluoro-4-(2-fluoro-6-hydroxyphenyl)benzamide;2,2-dimethylpropan-1-amine;(2-fluoro-6-hydroxyphenyl)boronic acid;1-[(3S)-3-methylpiperazin-1-yl]prop-2-en-1-one?
The canonical SMILES for 4-bromo-5-chloro-2-fluorobenzamide;tert-butyl-chloro-diphenylsilane;4-[2-[tert-butyl(diphenyl)silyl]oxy-6-fluorophenyl]-5-chloro-N-(2,2-dimethylpropylcarbamoyl)-2-fluorobenzamide;7-[2-[tert-butyl(diphenyl)silyl]oxy-6-fluorophenyl]-6-chloro-1-(2,2-dimethylpropyl)quinazoline-2,4-dione;4-[2-[tert-butyl(diphenyl)silyl]oxy-6-fluorophenyl]-5-chloro-2-fluorobenzamide;7-[2-[tert-butyl(diphenyl)silyl]oxy-6-fluorophenyl]-4,6-dichloro-1-(2,2-dimethylpropyl)quinazolin-2-one;5-chloro-2-fluoro-4-(2-fluoro-6-hydroxyphenyl)benzamide;2,2-dimethylpropan-1-amine;(2-fluoro-6-hydroxyphenyl)boronic acid;1-[(3S)-3-methylpiperazin-1-yl]prop-2-en-1-one is C=CC(=O)N1CCN[C@@H](C)C1.CC(C)(C)CN.CC(C)(C)CNC(=O)NC(=O)c1cc(Cl)c(-c2c(F)cccc2O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc1F.CC(C)(C)Cn1c(=O)[nH]c(=O)c2cc(Cl)c(-c3c(F)cccc3O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)cc21.CC(C)(C)Cn1c(=O)nc(Cl)c2cc(Cl)c(-c3c(F)cccc3O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)cc21.CC(C)(C)[Si](Cl)(c1ccccc1)c1ccccc1.CC(C)(C)[Si](Oc1cccc(F)c1-c1cc(F)c(C(N)=O)cc1Cl)(c1ccccc1)c1ccccc1.NC(=O)c1cc(Cl)c(-c2c(O)cccc2F)cc1F.NC(=O)c1cc(Cl)c(Br)cc1F.OB(O)c1c(O)cccc1F.
What is the InChIKey of 4-bromo-5-chloro-2-fluorobenzamide;tert-butyl-chloro-diphenylsilane;4-[2-[tert-butyl(diphenyl)silyl]oxy-6-fluorophenyl]-5-chloro-N-(2,2-dimethylpropylcarbamoyl)-2-fluorobenzamide;7-[2-[tert-butyl(diphenyl)silyl]oxy-6-fluorophenyl]-6-chloro-1-(2,2-dimethylpropyl)quinazoline-2,4-dione;4-[2-[tert-butyl(diphenyl)silyl]oxy-6-fluorophenyl]-5-chloro-2-fluorobenzamide;7-[2-[tert-butyl(diphenyl)silyl]oxy-6-fluorophenyl]-4,6-dichloro-1-(2,2-dimethylpropyl)quinazolin-2-one;5-chloro-2-fluoro-4-(2-fluoro-6-hydroxyphenyl)benzamide;2,2-dimethylpropan-1-amine;(2-fluoro-6-hydroxyphenyl)boronic acid;1-[(3S)-3-methylpiperazin-1-yl]prop-2-en-1-one?
The InChIKey is RYPKAGQEVOIFET-OTJNCCNMSA-N. The full InChI is InChI=1S/C35H35Cl2FN2O2Si.C35H37ClF2N2O3Si.C35H36ClFN2O3Si.C29H26ClF2NO2Si.C16H19ClSi.C13H8ClF2NO2.C8H14N2O.C7H4BrClFNO.C6H6BFO3.C5H13N/c1-34(2,3)22-40-29-21-25(27(36)20-26(29)32(37)39-33(40)41)31-28(38)18-13-19-30(31)42-43(35(4,5)6,23-14-9-7-10-15-23)24-16-11-8-12-17-24;1-34(2,3)22-39-33(42)40-32(41)26-20-27(36)25(21-29(26)38)31-28(37)18-13-19-30(31)43-44(35(4,5)6,23-14-9-7-10-15-23)24-16-11-8-12-17-24;1-34(2,3)22-39-29-21-25(27(36)20-26(29)32(40)38-33(39)41)31-28(37)18-13-19-30(31)42-43(35(4,5)6,23-14-9-7-10-15-23)24-16-11-8-12-17-24;1-29(2,3)36(19-11-6-4-7-12-19,20-13-8-5-9-14-20)35-26-16-10-15-24(31)27(26)21-18-25(32)22(28(33)34)17-23(21)30;1-16(2,3)18(17,14-10-6-4-7-11-14)15-12-8-5-9-13-15;14-8-4-7(13(17)19)10(16)5-6(8)12-9(15)2-1-3-11(12)18;1-3-8(11)10-5-4-9-7(2)6-10;8-4-2-6(10)3(7(11)12)1-5(4)9;8-4-2-1-3-5(9)6(4)7(10)11;1-5(2,3)4-6/h7-21H,22H2,1-6H3;7-21H,22H2,1-6H3,(H2,39,40,41,42);7-21H,22H2,1-6H3,(H,38,40,41);4-18H,1-3H3,(H2,33,34);4-13H,1-3H3;1-5,18H,(H2,17,19);3,7,9H,1,4-6H2,2H3;1-2H,(H2,11,12);1-3,9-11H;4,6H2,1-3H3/t;;;;;;7-;;;/m......0.../s1.
What are the key properties of 4-bromo-5-chloro-2-fluorobenzamide;tert-butyl-chloro-diphenylsilane;4-[2-[tert-butyl(diphenyl)silyl]oxy-6-fluorophenyl]-5-chloro-N-(2,2-dimethylpropylcarbamoyl)-2-fluorobenzamide;7-[2-[tert-butyl(diphenyl)silyl]oxy-6-fluorophenyl]-6-chloro-1-(2,2-dimethylpropyl)quinazoline-2,4-dione;4-[2-[tert-butyl(diphenyl)silyl]oxy-6-fluorophenyl]-5-chloro-2-fluorobenzamide;7-[2-[tert-butyl(diphenyl)silyl]oxy-6-fluorophenyl]-4,6-dichloro-1-(2,2-dimethylpropyl)quinazolin-2-one;5-chloro-2-fluoro-4-(2-fluoro-6-hydroxyphenyl)benzamide;2,2-dimethylpropan-1-amine;(2-fluoro-6-hydroxyphenyl)boronic acid;1-[(3S)-3-methylpiperazin-1-yl]prop-2-en-1-one?
4-bromo-5-chloro-2-fluorobenzamide;tert-butyl-chloro-diphenylsilane;4-[2-[tert-butyl(diphenyl)silyl]oxy-6-fluorophenyl]-5-chloro-N-(2,2-dimethylpropylcarbamoyl)-2-fluorobenzamide;7-[2-[tert-butyl(diphenyl)silyl]oxy-6-fluorophenyl]-6-chloro-1-(2,2-dimethylpropyl)quinazoline-2,4-dione;4-[2-[tert-butyl(diphenyl)silyl]oxy-6-fluorophenyl]-5-chloro-2-fluorobenzamide;7-[2-[tert-butyl(diphenyl)silyl]oxy-6-fluorophenyl]-4,6-dichloro-1-(2,2-dimethylpropyl)quinazolin-2-one;5-chloro-2-fluoro-4-(2-fluoro-6-hydroxyphenyl)benzamide;2,2-dimethylpropan-1-amine;(2-fluoro-6-hydroxyphenyl)boronic acid;1-[(3S)-3-methylpiperazin-1-yl]prop-2-en-1-one has a molecular weight of 3614.48 g/mol, XLogP of 39.07, 32 rotatable bonds, 12 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-chloro-2-fluorobenzamide;tert-butyl-chloro-diphenylsilane;4-[2-[tert-butyl(diphenyl)silyl]oxy-6-fluorophenyl]-5-chloro-N-(2,2-dimethylpropylcarbamoyl)-2-fluorobenzamide;7-[2-[tert-butyl(diphenyl)silyl]oxy-6-fluorophenyl]-6-chloro-1-(2,2-dimethylpropyl)quinazoline-2,4-dione;4-[2-[tert-butyl(diphenyl)silyl]oxy-6-fluorophenyl]-5-chloro-2-fluorobenzamide;7-[2-[tert-butyl(diphenyl)silyl]oxy-6-fluorophenyl]-4,6-dichloro-1-(2,2-dimethylpropyl)quinazolin-2-one;5-chloro-2-fluoro-4-(2-fluoro-6-hydroxyphenyl)benzamide;2,2-dimethylpropan-1-amine;(2-fluoro-6-hydroxyphenyl)boronic acid;1-[(3S)-3-methylpiperazin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 160765273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).