2-amino-4-chloro-N-[5-chloro-4-[cyano-(4-methylphenyl)methyl]-2-methylphenyl]-3-hydroxybenzamide;2-amino-N-[5-chloro-4-[cyano-(4-methylphenyl)methyl]-2-methylphenyl]-3,4-dihydroxybenzamide;4-chloro-N-[5-chloro-4-[cyano-(4-methylphenyl)methyl]-2-methylphenyl]-2,3-dihydroxybenzamide;4-chloro-N-[5-chloro-4-[cyano-(4-methylphenyl)methyl]-2-methylphenyl]-3-hydroxy-2-sulfanylbenzamide;N-[5-chloro-4-[cyano-(4-methylphenyl)methyl]-2-methylphenyl]-2,5-dihydroxybenzamide;N-[5-chloro-4-[cyano-(4-methylphenyl)methyl]-2-methylphenyl]-4-fluoro-2,3-dihydroxybenzamide;N-[5-chloro-4-[cyano-(4-methylphenyl)methyl]-2-methylphenyl]-4-fluoro-3-hydroxy-2-sulfanylbenzamide

C161H130Cl10F2N16O18S2 — CID 167553018

IUPAC2-amino-4-chloro-N-[5-chloro-4-[cyano-(4-methylphenyl)methyl]-2-methylphenyl]-3-hydroxybenzamide;2-amino-N-[5-chloro-4-[cyano-(4-methylphenyl)methyl]-2-methylphenyl]-3,4-dihydroxybenzamide;4-chloro-N-[5-chloro-4-[cyano-(4-methylphenyl)methyl]-2-methylphenyl]-2,3-dihydroxybenzamide;4-chloro-N-[5-chloro-4-[cyano-(4-methylphenyl)methyl]-2-methylphenyl]-3-hydroxy-2-sulfanylbenzamide;N-[5-chloro-4-[cyano-(4-methylphenyl)methyl]-2-methylphenyl]-2,5-dihydroxybenzamide;N-[5-chloro-4-[cyano-(4-methylphenyl)methyl]-2-methylphenyl]-4-fluoro-2,3-dihydroxybenzamide;N-[5-chloro-4-[cyano-(4-methylphenyl)methyl]-2-methylphenyl]-4-fluoro-3-hydroxy-2-sulfanylbenzamide
SMILESCc1ccc(C(C#N)c2cc(C)c(NC(=O)c3cc(O)ccc3O)cc2Cl)cc1.Cc1ccc(C(C#N)c2cc(C)c(NC(=O)c3ccc(Cl)c(O)c3N)cc2Cl)cc1.Cc1ccc(C(C#N)c2cc(C)c(NC(=O)c3ccc(Cl)c(O)c3O)cc2Cl)cc1.Cc1ccc(C(C#N)c2cc(C)c(NC(=O)c3ccc(Cl)c(O)c3S)cc2Cl)cc1.Cc1ccc(C(C#N)c2cc(C)c(NC(=O)c3ccc(F)c(O)c3O)cc2Cl)cc1.Cc1ccc(C(C#N)c2cc(C)c(NC(=O)c3ccc(F)c(O)c3S)cc2Cl)cc1.Cc1ccc(C(C#N)c2cc(C)c(NC(=O)c3ccc(O)c(O)c3N)cc2Cl)cc1
InChIInChI=1S/C23H19Cl2N3O2.C23H18Cl2N2O3.C23H18Cl2N2O2S.C23H18ClFN2O3.C23H18ClFN2O2S.C23H20ClN3O3.C23H19ClN2O3/c1-12-3-5-14(6-4-12)17(11-26)16-9-13(2)20(10-19(16)25)28-23(30)15-7-8-18(24)22(29)21(15)27;1-12-3-5-14(6-4-12)17(11-26)16-9-13(2)20(10-19(16)25)27-23(30)15-7-8-18(24)22(29)21(15)28;1-12-3-5-14(6-4-12)17(11-26)16-9-13(2)20(10-19(16)25)27-23(29)15-7-8-18(24)21(28)22(15)30;1-12-3-5-14(6-4-12)17(11-26)16-9-13(2)20(10-18(16)24)27-23(30)15-7-8-19(25)22(29)21(15)28;1-12-3-5-14(6-4-12)17(11-26)16-9-13(2)20(10-18(16)24)27-23(29)15-7-8-19(25)21(28)22(15)30;1-12-3-5-14(6-4-12)17(11-25)16-9-13(2)19(10-18(16)24)27-23(30)15-7-8-20(28)22(29)21(15)26;1-13-3-5-15(6-4-13)19(12-25)17-9-14(2)21(11-20(17)24)26-23(29)18-10-16(27)7-8-22(18)28/h3-10,17,29H,27H2,1-2H3,(H,28,30);3-10,17,28-29H,1-2H3,(H,27,30);3-10,17,28,30H,1-2H3,(H,27,29);3-10,17,28-29H,1-2H3,(H,27,30);3-10,17,28,30H,1-2H3,(H,27,29);3-10,17,28-29H,26H2,1-2H3,(H,27,30);3-11,19,27-28H,1-2H3,(H,26,29)
InChIKeyCQRKEAMIYCVQLR-UHFFFAOYSA-N
MW3033.56 g/mol
LogP39.79
Rot. Bonds28

About 2-amino-4-chloro-N-[5-chloro-4-[cyano-(4-methylphenyl)methyl]-2-methylphenyl]-3-hydroxybenzamide;2-amino-N-[5-chloro-4-[cyano-(4-methylphenyl)methyl]-2-methylphenyl]-3,4-dihydroxybenzamide;4-chloro-N-[5-chloro-4-[cyano-(4-methylphenyl)methyl]-2-methylphenyl]-2,3-dihydroxybenzamide;4-chloro-N-[5-chloro-4-[cyano-(4-methylphenyl)methyl]-2-methylphenyl]-3-hydroxy-2-sulfanylbenzamide;N-[5-chloro-4-[cyano-(4-methylphenyl)methyl]-2-methylphenyl]-2,5-dihydroxybenzamide;N-[5-chloro-4-[cyano-(4-methylphenyl)methyl]-2-methylphenyl]-4-fluoro-2,3-dihydroxybenzamide;N-[5-chloro-4-[cyano-(4-methylphenyl)methyl]-2-methylphenyl]-4-fluoro-3-hydroxy-2-sulfanylbenzamide

2-amino-4-chloro-N-[5-chloro-4-[cyano-(4-methylphenyl)methyl]-2-methylphenyl]-3-hydroxybenzamide;2-amino-N-[5-chloro-4-[cyano-(4-methylphenyl)methyl]-2-methylphenyl]-3,4-dihydroxybenzamide;4-chloro-N-[5-chloro-4-[cyano-(4-methylphenyl)methyl]-2-methylphenyl]-2,3-dihydroxybenzamide;4-chloro-N-[5-chloro-4-[cyano-(4-methylphenyl)methyl]-2-methylphenyl]-3-hydroxy-2-sulfanylbenzamide;N-[5-chloro-4-[cyano-(4-methylphenyl)methyl]-2-methylphenyl]-2,5-dihydroxybenzamide;N-[5-chloro-4-[cyano-(4-methylphenyl)methyl]-2-methylphenyl]-4-fluoro-2,3-dihydroxybenzamide;N-[5-chloro-4-[cyano-(4-methylphenyl)methyl]-2-methylphenyl]-4-fluoro-3-hydroxy-2-sulfanylbenzamide (PubChem CID 167553018) has the molecular formula C161H130Cl10F2N16O18S2 and a molecular weight of 3033.56 g/mol. Its IUPAC name is 2-amino-4-chloro-N-[5-chloro-4-[cyano-(4-methylphenyl)methyl]-2-methylphenyl]-3-hydroxybenzamide;2-amino-N-[5-chloro-4-[cyano-(4-methylphenyl)methyl]-2-methylphenyl]-3,4-dihydroxybenzamide;4-chloro-N-[5-chloro-4-[cyano-(4-methylphenyl)methyl]-2-methylphenyl]-2,3-dihydroxybenzamide;4-chloro-N-[5-chloro-4-[cyano-(4-methylphenyl)methyl]-2-methylphenyl]-3-hydroxy-2-sulfanylbenzamide;N-[5-chloro-4-[cyano-(4-methylphenyl)methyl]-2-methylphenyl]-2,5-dihydroxybenzamide;N-[5-chloro-4-[cyano-(4-methylphenyl)methyl]-2-methylphenyl]-4-fluoro-2,3-dihydroxybenzamide;N-[5-chloro-4-[cyano-(4-methylphenyl)methyl]-2-methylphenyl]-4-fluoro-3-hydroxy-2-sulfanylbenzamide.

Molecular Properties

Compound Name2-amino-4-chloro-N-[5-chloro-4-[cyano-(4-methylphenyl)methyl]-2-methylphenyl]-3-hydroxybenzamide;2-amino-N-[5-chloro-4-[cyano-(4-methylphenyl)methyl]-2-methylphenyl]-3,4-dihydroxybenzamide;4-chloro-N-[5-chloro-4-[cyano-(4-methylphenyl)methyl]-2-methylphenyl]-2,3-dihydroxybenzamide;4-chloro-N-[5-chloro-4-[cyano-(4-methylphenyl)methyl]-2-methylphenyl]-3-hydroxy-2-sulfanylbenzamide;N-[5-chloro-4-[cyano-(4-methylphenyl)methyl]-2-methylphenyl]-2,5-dihydroxybenzamide;N-[5-chloro-4-[cyano-(4-methylphenyl)methyl]-2-methylphenyl]-4-fluoro-2,3-dihydroxybenzamide;N-[5-chloro-4-[cyano-(4-methylphenyl)methyl]-2-methylphenyl]-4-fluoro-3-hydroxy-2-sulfanylbenzamide
PubChem CID167553018
Molecular FormulaC161H130Cl10F2N16O18S2
Molecular Weight3033.56 g/mol
Exact Mass3026.60
IUPAC Name2-amino-4-chloro-N-[5-chloro-4-[cyano-(4-methylphenyl)methyl]-2-methylphenyl]-3-hydroxybenzamide;2-amino-N-[5-chloro-4-[cyano-(4-methylphenyl)methyl]-2-methylphenyl]-3,4-dihydroxybenzamide;4-chloro-N-[5-chloro-4-[cyano-(4-methylphenyl)methyl]-2-methylphenyl]-2,3-dihydroxybenzamide;4-chloro-N-[5-chloro-4-[cyano-(4-methylphenyl)methyl]-2-methylphenyl]-3-hydroxy-2-sulfanylbenzamide;N-[5-chloro-4-[cyano-(4-methylphenyl)methyl]-2-methylphenyl]-2,5-dihydroxybenzamide;N-[5-chloro-4-[cyano-(4-methylphenyl)methyl]-2-methylphenyl]-4-fluoro-2,3-dihydroxybenzamide;N-[5-chloro-4-[cyano-(4-methylphenyl)methyl]-2-methylphenyl]-4-fluoro-3-hydroxy-2-sulfanylbenzamide
SMILESCc1ccc(C(C#N)c2cc(C)c(NC(=O)c3cc(O)ccc3O)cc2Cl)cc1.Cc1ccc(C(C#N)c2cc(C)c(NC(=O)c3ccc(Cl)c(O)c3N)cc2Cl)cc1.Cc1ccc(C(C#N)c2cc(C)c(NC(=O)c3ccc(Cl)c(O)c3O)cc2Cl)cc1.Cc1ccc(C(C#N)c2cc(C)c(NC(=O)c3ccc(Cl)c(O)c3S)cc2Cl)cc1.Cc1ccc(C(C#N)c2cc(C)c(NC(=O)c3ccc(F)c(O)c3O)cc2Cl)cc1.Cc1ccc(C(C#N)c2cc(C)c(NC(=O)c3ccc(F)c(O)c3S)cc2Cl)cc1.Cc1ccc(C(C#N)c2cc(C)c(NC(=O)c3ccc(O)c(O)c3N)cc2Cl)cc1
InChIInChI=1S/C23H19Cl2N3O2.C23H18Cl2N2O3.C23H18Cl2N2O2S.C23H18ClFN2O3.C23H18ClFN2O2S.C23H20ClN3O3.C23H19ClN2O3/c1-12-3-5-14(6-4-12)17(11-26)16-9-13(2)20(10-19(16)25)28-23(30)15-7-8-18(24)22(29)21(15)27;1-12-3-5-14(6-4-12)17(11-26)16-9-13(2)20(10-19(16)25)27-23(30)15-7-8-18(24)22(29)21(15)28;1-12-3-5-14(6-4-12)17(11-26)16-9-13(2)20(10-19(16)25)27-23(29)15-7-8-18(24)21(28)22(15)30;1-12-3-5-14(6-4-12)17(11-26)16-9-13(2)20(10-18(16)24)27-23(30)15-7-8-19(25)22(29)21(15)28;1-12-3-5-14(6-4-12)17(11-26)16-9-13(2)20(10-18(16)24)27-23(29)15-7-8-19(25)21(28)22(15)30;1-12-3-5-14(6-4-12)17(11-25)16-9-13(2)19(10-18(16)24)27-23(30)15-7-8-20(28)22(29)21(15)26;1-13-3-5-15(6-4-13)19(12-25)17-9-14(2)21(11-20(17)24)26-23(29)18-10-16(27)7-8-22(18)28/h3-10,17,29H,27H2,1-2H3,(H,28,30);3-10,17,28-29H,1-2H3,(H,27,30);3-10,17,28,30H,1-2H3,(H,27,29);3-10,17,28-29H,1-2H3,(H,27,30);3-10,17,28,30H,1-2H3,(H,27,29);3-10,17,28-29H,26H2,1-2H3,(H,27,30);3-11,19,27-28H,1-2H3,(H,26,29)
InChIKeyCQRKEAMIYCVQLR-UHFFFAOYSA-N
XLogP39.79
TPSA644.80 Ų
H-Bond Donors22
H-Bond Acceptors29
Rotatable Bonds28
Heavy Atoms209
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003033.56
LogP ≤ 539.79
H-Bond Donors ≤ 522
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 2-amino-4-chloro-N-[5-chloro-4-[cyano-(4-methylphenyl)methyl]-2-methylphenyl]-3-hydroxybenzamide;2-amino-N-[5-chloro-4-[cyano-(4-methylphenyl)methyl]-2-methylphenyl]-3,4-dihydroxybenzamide;4-chloro-N-[5-chloro-4-[cyano-(4-methylphenyl)methyl]-2-methylphenyl]-2,3-dihydroxybenzamide;4-chloro-N-[5-chloro-4-[cyano-(4-methylphenyl)methyl]-2-methylphenyl]-3-hydroxy-2-sulfanylbenzamide;N-[5-chloro-4-[cyano-(4-methylphenyl)methyl]-2-methylphenyl]-2,5-dihydroxybenzamide;N-[5-chloro-4-[cyano-(4-methylphenyl)methyl]-2-methylphenyl]-4-fluoro-2,3-dihydroxybenzamide;N-[5-chloro-4-[cyano-(4-methylphenyl)methyl]-2-methylphenyl]-4-fluoro-3-hydroxy-2-sulfanylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-chloro-4-[cyano-(4-methylphenyl)methyl]-2-methylphenyl]-4-fluoro-3-hydroxy-2-sulfanylbenzamide
CID 157249814
2-amino-4-chloro-N-[5-chloro-4-[cyano-(4-methylphenyl)methyl]-2-methylphenyl]-3-fluorobenzamide
CID 159045454
2-amino-N-[5-chloro-4-[cyano-(4-methylphenyl)methyl]-2-methylphenyl]benzamide;N-[5-chloro-4-[cyano-(4-methylphenyl)methyl]-2-methylphenyl]-3-fluoro-2-hydroxybenzamide;N-[5-chloro-4-[cyano-(4-methylphenyl)methyl]-2-methylphenyl]-2-sulfanylbenzamide;molecular hydrogen
CID 160891337
5-bromo-N-[5-chloro-4-[(4-chlorophenyl)-cyanomethyl]-2-methylphenyl]-2-hydroxybenzamide
CID 163300787
2-[[5-chloro-4-[(4-chlorophenyl)-cyanomethyl]-2-methylphenyl]carbamoyl]-4,6-diiodophenolate
CID 53338167
N-[5-chloro-4-[(4-chlorophenyl)-cyanomethyl]-2-methylphenyl]-3-methylbenzamide
CID 4122185
N-[5-chloro-4-[(4-chlorophenyl)-cyanomethyl]-2-methylphenyl]-2-propylsulfonylbenzamide
CID 17224971
3-chloro-N-[5-chloro-4-[(R)-(4-chlorophenyl)-cyanomethyl]-2-methylphenyl]propanamide
CID 94830986
N-[5-chloro-4-[(4-chlorophenyl)-cyanomethyl]-2-methylphenyl]-3-(4-chlorophenyl)sulfanylpropanamide
CID 17257531
N-[2-(aminomethyl)-5-chloro-4-[(4-chlorophenyl)-cyanomethyl]phenyl]-2-hydroxy-3,5-diiodobenzamide
CID 174944016
N-[5-chloro-4-[(2-chlorophenyl)-cyanomethyl]-2-methylphenyl]-2-hydroxy-3,5-diiodobenzamide
CID 126963491
2,4-dichloro-N-(4-hydroxy-2-methylphenyl)benzamide
CID 849254

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-chloro-N-[5-chloro-4-[cyano-(4-methylphenyl)methyl]-2-methylphenyl]-3-hydroxybenzamide;2-amino-N-[5-chloro-4-[cyano-(4-methylphenyl)methyl]-2-methylphenyl]-3,4-dihydroxybenzamide;4-chloro-N-[5-chloro-4-[cyano-(4-methylphenyl)methyl]-2-methylphenyl]-2,3-dihydroxybenzamide;4-chloro-N-[5-chloro-4-[cyano-(4-methylphenyl)methyl]-2-methylphenyl]-3-hydroxy-2-sulfanylbenzamide;N-[5-chloro-4-[cyano-(4-methylphenyl)methyl]-2-methylphenyl]-2,5-dihydroxybenzamide;N-[5-chloro-4-[cyano-(4-methylphenyl)methyl]-2-methylphenyl]-4-fluoro-2,3-dihydroxybenzamide;N-[5-chloro-4-[cyano-(4-methylphenyl)methyl]-2-methylphenyl]-4-fluoro-3-hydroxy-2-sulfanylbenzamide?
The IUPAC name of 2-amino-4-chloro-N-[5-chloro-4-[cyano-(4-methylphenyl)methyl]-2-methylphenyl]-3-hydroxybenzamide;2-amino-N-[5-chloro-4-[cyano-(4-methylphenyl)methyl]-2-methylphenyl]-3,4-dihydroxybenzamide;4-chloro-N-[5-chloro-4-[cyano-(4-methylphenyl)methyl]-2-methylphenyl]-2,3-dihydroxybenzamide;4-chloro-N-[5-chloro-4-[cyano-(4-methylphenyl)methyl]-2-methylphenyl]-3-hydroxy-2-sulfanylbenzamide;N-[5-chloro-4-[cyano-(4-methylphenyl)methyl]-2-methylphenyl]-2,5-dihydroxybenzamide;N-[5-chloro-4-[cyano-(4-methylphenyl)methyl]-2-methylphenyl]-4-fluoro-2,3-dihydroxybenzamide;N-[5-chloro-4-[cyano-(4-methylphenyl)methyl]-2-methylphenyl]-4-fluoro-3-hydroxy-2-sulfanylbenzamide (CID 167553018) is 2-amino-4-chloro-N-[5-chloro-4-[cyano-(4-methylphenyl)methyl]-2-methylphenyl]-3-hydroxybenzamide;2-amino-N-[5-chloro-4-[cyano-(4-methylphenyl)methyl]-2-methylphenyl]-3,4-dihydroxybenzamide;4-chloro-N-[5-chloro-4-[cyano-(4-methylphenyl)methyl]-2-methylphenyl]-2,3-dihydroxybenzamide;4-chloro-N-[5-chloro-4-[cyano-(4-methylphenyl)methyl]-2-methylphenyl]-3-hydroxy-2-sulfanylbenzamide;N-[5-chloro-4-[cyano-(4-methylphenyl)methyl]-2-methylphenyl]-2,5-dihydroxybenzamide;N-[5-chloro-4-[cyano-(4-methylphenyl)methyl]-2-methylphenyl]-4-fluoro-2,3-dihydroxybenzamide;N-[5-chloro-4-[cyano-(4-methylphenyl)methyl]-2-methylphenyl]-4-fluoro-3-hydroxy-2-sulfanylbenzamide.
What is the SMILES notation for 2-amino-4-chloro-N-[5-chloro-4-[cyano-(4-methylphenyl)methyl]-2-methylphenyl]-3-hydroxybenzamide;2-amino-N-[5-chloro-4-[cyano-(4-methylphenyl)methyl]-2-methylphenyl]-3,4-dihydroxybenzamide;4-chloro-N-[5-chloro-4-[cyano-(4-methylphenyl)methyl]-2-methylphenyl]-2,3-dihydroxybenzamide;4-chloro-N-[5-chloro-4-[cyano-(4-methylphenyl)methyl]-2-methylphenyl]-3-hydroxy-2-sulfanylbenzamide;N-[5-chloro-4-[cyano-(4-methylphenyl)methyl]-2-methylphenyl]-2,5-dihydroxybenzamide;N-[5-chloro-4-[cyano-(4-methylphenyl)methyl]-2-methylphenyl]-4-fluoro-2,3-dihydroxybenzamide;N-[5-chloro-4-[cyano-(4-methylphenyl)methyl]-2-methylphenyl]-4-fluoro-3-hydroxy-2-sulfanylbenzamide?
The canonical SMILES for 2-amino-4-chloro-N-[5-chloro-4-[cyano-(4-methylphenyl)methyl]-2-methylphenyl]-3-hydroxybenzamide;2-amino-N-[5-chloro-4-[cyano-(4-methylphenyl)methyl]-2-methylphenyl]-3,4-dihydroxybenzamide;4-chloro-N-[5-chloro-4-[cyano-(4-methylphenyl)methyl]-2-methylphenyl]-2,3-dihydroxybenzamide;4-chloro-N-[5-chloro-4-[cyano-(4-methylphenyl)methyl]-2-methylphenyl]-3-hydroxy-2-sulfanylbenzamide;N-[5-chloro-4-[cyano-(4-methylphenyl)methyl]-2-methylphenyl]-2,5-dihydroxybenzamide;N-[5-chloro-4-[cyano-(4-methylphenyl)methyl]-2-methylphenyl]-4-fluoro-2,3-dihydroxybenzamide;N-[5-chloro-4-[cyano-(4-methylphenyl)methyl]-2-methylphenyl]-4-fluoro-3-hydroxy-2-sulfanylbenzamide is Cc1ccc(C(C#N)c2cc(C)c(NC(=O)c3cc(O)ccc3O)cc2Cl)cc1.Cc1ccc(C(C#N)c2cc(C)c(NC(=O)c3ccc(Cl)c(O)c3N)cc2Cl)cc1.Cc1ccc(C(C#N)c2cc(C)c(NC(=O)c3ccc(Cl)c(O)c3O)cc2Cl)cc1.Cc1ccc(C(C#N)c2cc(C)c(NC(=O)c3ccc(Cl)c(O)c3S)cc2Cl)cc1.Cc1ccc(C(C#N)c2cc(C)c(NC(=O)c3ccc(F)c(O)c3O)cc2Cl)cc1.Cc1ccc(C(C#N)c2cc(C)c(NC(=O)c3ccc(F)c(O)c3S)cc2Cl)cc1.Cc1ccc(C(C#N)c2cc(C)c(NC(=O)c3ccc(O)c(O)c3N)cc2Cl)cc1.
What is the InChIKey of 2-amino-4-chloro-N-[5-chloro-4-[cyano-(4-methylphenyl)methyl]-2-methylphenyl]-3-hydroxybenzamide;2-amino-N-[5-chloro-4-[cyano-(4-methylphenyl)methyl]-2-methylphenyl]-3,4-dihydroxybenzamide;4-chloro-N-[5-chloro-4-[cyano-(4-methylphenyl)methyl]-2-methylphenyl]-2,3-dihydroxybenzamide;4-chloro-N-[5-chloro-4-[cyano-(4-methylphenyl)methyl]-2-methylphenyl]-3-hydroxy-2-sulfanylbenzamide;N-[5-chloro-4-[cyano-(4-methylphenyl)methyl]-2-methylphenyl]-2,5-dihydroxybenzamide;N-[5-chloro-4-[cyano-(4-methylphenyl)methyl]-2-methylphenyl]-4-fluoro-2,3-dihydroxybenzamide;N-[5-chloro-4-[cyano-(4-methylphenyl)methyl]-2-methylphenyl]-4-fluoro-3-hydroxy-2-sulfanylbenzamide?
The InChIKey is CQRKEAMIYCVQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl2N3O2.C23H18Cl2N2O3.C23H18Cl2N2O2S.C23H18ClFN2O3.C23H18ClFN2O2S.C23H20ClN3O3.C23H19ClN2O3/c1-12-3-5-14(6-4-12)17(11-26)16-9-13(2)20(10-19(16)25)28-23(30)15-7-8-18(24)22(29)21(15)27;1-12-3-5-14(6-4-12)17(11-26)16-9-13(2)20(10-19(16)25)27-23(30)15-7-8-18(24)22(29)21(15)28;1-12-3-5-14(6-4-12)17(11-26)16-9-13(2)20(10-19(16)25)27-23(29)15-7-8-18(24)21(28)22(15)30;1-12-3-5-14(6-4-12)17(11-26)16-9-13(2)20(10-18(16)24)27-23(30)15-7-8-19(25)22(29)21(15)28;1-12-3-5-14(6-4-12)17(11-26)16-9-13(2)20(10-18(16)24)27-23(29)15-7-8-19(25)21(28)22(15)30;1-12-3-5-14(6-4-12)17(11-25)16-9-13(2)19(10-18(16)24)27-23(30)15-7-8-20(28)22(29)21(15)26;1-13-3-5-15(6-4-13)19(12-25)17-9-14(2)21(11-20(17)24)26-23(29)18-10-16(27)7-8-22(18)28/h3-10,17,29H,27H2,1-2H3,(H,28,30);3-10,17,28-29H,1-2H3,(H,27,30);3-10,17,28,30H,1-2H3,(H,27,29);3-10,17,28-29H,1-2H3,(H,27,30);3-10,17,28,30H,1-2H3,(H,27,29);3-10,17,28-29H,26H2,1-2H3,(H,27,30);3-11,19,27-28H,1-2H3,(H,26,29).
What are the key properties of 2-amino-4-chloro-N-[5-chloro-4-[cyano-(4-methylphenyl)methyl]-2-methylphenyl]-3-hydroxybenzamide;2-amino-N-[5-chloro-4-[cyano-(4-methylphenyl)methyl]-2-methylphenyl]-3,4-dihydroxybenzamide;4-chloro-N-[5-chloro-4-[cyano-(4-methylphenyl)methyl]-2-methylphenyl]-2,3-dihydroxybenzamide;4-chloro-N-[5-chloro-4-[cyano-(4-methylphenyl)methyl]-2-methylphenyl]-3-hydroxy-2-sulfanylbenzamide;N-[5-chloro-4-[cyano-(4-methylphenyl)methyl]-2-methylphenyl]-2,5-dihydroxybenzamide;N-[5-chloro-4-[cyano-(4-methylphenyl)methyl]-2-methylphenyl]-4-fluoro-2,3-dihydroxybenzamide;N-[5-chloro-4-[cyano-(4-methylphenyl)methyl]-2-methylphenyl]-4-fluoro-3-hydroxy-2-sulfanylbenzamide?
2-amino-4-chloro-N-[5-chloro-4-[cyano-(4-methylphenyl)methyl]-2-methylphenyl]-3-hydroxybenzamide;2-amino-N-[5-chloro-4-[cyano-(4-methylphenyl)methyl]-2-methylphenyl]-3,4-dihydroxybenzamide;4-chloro-N-[5-chloro-4-[cyano-(4-methylphenyl)methyl]-2-methylphenyl]-2,3-dihydroxybenzamide;4-chloro-N-[5-chloro-4-[cyano-(4-methylphenyl)methyl]-2-methylphenyl]-3-hydroxy-2-sulfanylbenzamide;N-[5-chloro-4-[cyano-(4-methylphenyl)methyl]-2-methylphenyl]-2,5-dihydroxybenzamide;N-[5-chloro-4-[cyano-(4-methylphenyl)methyl]-2-methylphenyl]-4-fluoro-2,3-dihydroxybenzamide;N-[5-chloro-4-[cyano-(4-methylphenyl)methyl]-2-methylphenyl]-4-fluoro-3-hydroxy-2-sulfanylbenzamide has a molecular weight of 3033.56 g/mol, XLogP of 39.79, 28 rotatable bonds, 22 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-chloro-N-[5-chloro-4-[cyano-(4-methylphenyl)methyl]-2-methylphenyl]-3-hydroxybenzamide;2-amino-N-[5-chloro-4-[cyano-(4-methylphenyl)methyl]-2-methylphenyl]-3,4-dihydroxybenzamide;4-chloro-N-[5-chloro-4-[cyano-(4-methylphenyl)methyl]-2-methylphenyl]-2,3-dihydroxybenzamide;4-chloro-N-[5-chloro-4-[cyano-(4-methylphenyl)methyl]-2-methylphenyl]-3-hydroxy-2-sulfanylbenzamide;N-[5-chloro-4-[cyano-(4-methylphenyl)methyl]-2-methylphenyl]-2,5-dihydroxybenzamide;N-[5-chloro-4-[cyano-(4-methylphenyl)methyl]-2-methylphenyl]-4-fluoro-2,3-dihydroxybenzamide;N-[5-chloro-4-[cyano-(4-methylphenyl)methyl]-2-methylphenyl]-4-fluoro-3-hydroxy-2-sulfanylbenzamide is sourced from PubChem (CID 167553018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).