N-benzhydryl-5-chloro-1H-indole-2-carboxamide;1-(5-bromo-1H-indol-2-yl)-2-[3-(1-methylpyrazol-4-yl)oxetan-3-yl]ethanone;5-chloro-N-(1-phenylcyclohexyl)-1H-indole-2-carboxamide;5-cyano-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-1H-indole-2-carboxamide;5-cyano-N-[3-(1-methylpyrazol-4-yl)oxetan-3-yl]-1H-indole-2-carboxamide;5-ethyl-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;N-[1-(1-methylpyrazol-4-yl)ethyl]-5-phenylmethoxy-1H-indole-2-carboxamide

C134H125BrCl2N22O11 — CID 160791119

IUPACN-benzhydryl-5-chloro-1H-indole-2-carboxamide;1-(5-bromo-1H-indol-2-yl)-2-[3-(1-methylpyrazol-4-yl)oxetan-3-yl]ethanone;5-chloro-N-(1-phenylcyclohexyl)-1H-indole-2-carboxamide;5-cyano-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-1H-indole-2-carboxamide;5-cyano-N-[3-(1-methylpyrazol-4-yl)oxetan-3-yl]-1H-indole-2-carboxamide;5-ethyl-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;N-[1-(1-methylpyrazol-4-yl)ethyl]-5-phenylmethoxy-1H-indole-2-carboxamide
SMILESCC(NC(=O)c1cc2cc(OCc3ccccc3)ccc2[nH]1)c1cnn(C)c1.CCc1ccc2[nH]c(C(=O)N[C@H](C)c3ccccc3)cc2c1.Cc1cc(C(C)NC(=O)c2cc3cc(C#N)ccc3[nH]2)no1.Cn1cc(C2(CC(=O)c3cc4cc(Br)ccc4[nH]3)COC2)cn1.Cn1cc(C2(NC(=O)c3cc4cc(C#N)ccc4[nH]3)COC2)cn1.O=C(NC(c1ccccc1)c1ccccc1)c1cc2cc(Cl)ccc2[nH]1.O=C(NC1(c2ccccc2)CCCCC1)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C22H17ClN2O.C22H22N4O2.C21H21ClN2O.C19H20N2O.C17H16BrN3O2.C17H15N5O2.C16H14N4O2/c23-18-11-12-19-17(13-18)14-20(24-19)22(26)25-21(15-7-3-1-4-8-15)16-9-5-2-6-10-16;1-15(18-12-23-26(2)13-18)24-22(27)21-11-17-10-19(8-9-20(17)25-21)28-14-16-6-4-3-5-7-16;22-17-9-10-18-15(13-17)14-19(23-18)20(25)24-21(11-5-2-6-12-21)16-7-3-1-4-8-16;1-3-14-9-10-17-16(11-14)12-18(21-17)19(22)20-13(2)15-7-5-4-6-8-15;1-21-8-12(7-19-21)17(9-23-10-17)6-16(22)15-5-11-4-13(18)2-3-14(11)20-15;1-22-8-13(7-19-22)17(9-24-10-17)21-16(23)15-5-12-4-11(6-18)2-3-14(12)20-15;1-9-5-14(20-22-9)10(2)18-16(21)15-7-12-6-11(8-17)3-4-13(12)19-15/h1-14,21,24H,(H,25,26);3-13,15,25H,14H2,1-2H3,(H,24,27);1,3-4,7-10,13-14,23H,2,5-6,11-12H2,(H,24,25);4-13,21H,3H2,1-2H3,(H,20,22);2-5,7-8,20H,6,9-10H2,1H3;2-5,7-8,20H,9-10H2,1H3,(H,21,23);3-7,10,19H,1-2H3,(H,18,21)/t;;;13-;;;/m...1.../s1
InChIKeySBVJIAHXWIWTGV-OYFKQDOVSA-N
MW2370.43 g/mol
LogP26.40
Rot. Bonds27

About N-benzhydryl-5-chloro-1H-indole-2-carboxamide;1-(5-bromo-1H-indol-2-yl)-2-[3-(1-methylpyrazol-4-yl)oxetan-3-yl]ethanone;5-chloro-N-(1-phenylcyclohexyl)-1H-indole-2-carboxamide;5-cyano-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-1H-indole-2-carboxamide;5-cyano-N-[3-(1-methylpyrazol-4-yl)oxetan-3-yl]-1H-indole-2-carboxamide;5-ethyl-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;N-[1-(1-methylpyrazol-4-yl)ethyl]-5-phenylmethoxy-1H-indole-2-carboxamide

N-benzhydryl-5-chloro-1H-indole-2-carboxamide;1-(5-bromo-1H-indol-2-yl)-2-[3-(1-methylpyrazol-4-yl)oxetan-3-yl]ethanone;5-chloro-N-(1-phenylcyclohexyl)-1H-indole-2-carboxamide;5-cyano-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-1H-indole-2-carboxamide;5-cyano-N-[3-(1-methylpyrazol-4-yl)oxetan-3-yl]-1H-indole-2-carboxamide;5-ethyl-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;N-[1-(1-methylpyrazol-4-yl)ethyl]-5-phenylmethoxy-1H-indole-2-carboxamide (PubChem CID 160791119) has the molecular formula C134H125BrCl2N22O11 and a molecular weight of 2370.43 g/mol. Its IUPAC name is N-benzhydryl-5-chloro-1H-indole-2-carboxamide;1-(5-bromo-1H-indol-2-yl)-2-[3-(1-methylpyrazol-4-yl)oxetan-3-yl]ethanone;5-chloro-N-(1-phenylcyclohexyl)-1H-indole-2-carboxamide;5-cyano-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-1H-indole-2-carboxamide;5-cyano-N-[3-(1-methylpyrazol-4-yl)oxetan-3-yl]-1H-indole-2-carboxamide;5-ethyl-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;N-[1-(1-methylpyrazol-4-yl)ethyl]-5-phenylmethoxy-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-benzhydryl-5-chloro-1H-indole-2-carboxamide;1-(5-bromo-1H-indol-2-yl)-2-[3-(1-methylpyrazol-4-yl)oxetan-3-yl]ethanone;5-chloro-N-(1-phenylcyclohexyl)-1H-indole-2-carboxamide;5-cyano-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-1H-indole-2-carboxamide;5-cyano-N-[3-(1-methylpyrazol-4-yl)oxetan-3-yl]-1H-indole-2-carboxamide;5-ethyl-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;N-[1-(1-methylpyrazol-4-yl)ethyl]-5-phenylmethoxy-1H-indole-2-carboxamide
PubChem CID160791119
Molecular FormulaC134H125BrCl2N22O11
Molecular Weight2370.43 g/mol
Exact Mass2366.85
IUPAC NameN-benzhydryl-5-chloro-1H-indole-2-carboxamide;1-(5-bromo-1H-indol-2-yl)-2-[3-(1-methylpyrazol-4-yl)oxetan-3-yl]ethanone;5-chloro-N-(1-phenylcyclohexyl)-1H-indole-2-carboxamide;5-cyano-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-1H-indole-2-carboxamide;5-cyano-N-[3-(1-methylpyrazol-4-yl)oxetan-3-yl]-1H-indole-2-carboxamide;5-ethyl-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;N-[1-(1-methylpyrazol-4-yl)ethyl]-5-phenylmethoxy-1H-indole-2-carboxamide
SMILESCC(NC(=O)c1cc2cc(OCc3ccccc3)ccc2[nH]1)c1cnn(C)c1.CCc1ccc2[nH]c(C(=O)N[C@H](C)c3ccccc3)cc2c1.Cc1cc(C(C)NC(=O)c2cc3cc(C#N)ccc3[nH]2)no1.Cn1cc(C2(CC(=O)c3cc4cc(Br)ccc4[nH]3)COC2)cn1.Cn1cc(C2(NC(=O)c3cc4cc(C#N)ccc4[nH]3)COC2)cn1.O=C(NC(c1ccccc1)c1ccccc1)c1cc2cc(Cl)ccc2[nH]1.O=C(NC1(c2ccccc2)CCCCC1)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C22H17ClN2O.C22H22N4O2.C21H21ClN2O.C19H20N2O.C17H16BrN3O2.C17H15N5O2.C16H14N4O2/c23-18-11-12-19-17(13-18)14-20(24-19)22(26)25-21(15-7-3-1-4-8-15)16-9-5-2-6-10-16;1-15(18-12-23-26(2)13-18)24-22(27)21-11-17-10-19(8-9-20(17)25-21)28-14-16-6-4-3-5-7-16;22-17-9-10-18-15(13-17)14-19(23-18)20(25)24-21(11-5-2-6-12-21)16-7-3-1-4-8-16;1-3-14-9-10-17-16(11-14)12-18(21-17)19(22)20-13(2)15-7-5-4-6-8-15;1-21-8-12(7-19-21)17(9-23-10-17)6-16(22)15-5-11-4-13(18)2-3-14(11)20-15;1-22-8-13(7-19-22)17(9-24-10-17)21-16(23)15-5-12-4-11(6-18)2-3-14(12)20-15;1-9-5-14(20-22-9)10(2)18-16(21)15-7-12-6-11(8-17)3-4-13(12)19-15/h1-14,21,24H,(H,25,26);3-13,15,25H,14H2,1-2H3,(H,24,27);1,3-4,7-10,13-14,23H,2,5-6,11-12H2,(H,24,25);4-13,21H,3H2,1-2H3,(H,20,22);2-5,7-8,20H,6,9-10H2,1H3;2-5,7-8,20H,9-10H2,1H3,(H,21,23);3-7,10,19H,1-2H3,(H,18,21)/t;;;13-;;;/m...1.../s1
InChIKeySBVJIAHXWIWTGV-OYFKQDOVSA-N
XLogP26.40
TPSA456.96 Ų
H-Bond Donors13
H-Bond Acceptors20
Rotatable Bonds27
Heavy Atoms170
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002370.43
LogP ≤ 526.40
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1020

Analyze N-benzhydryl-5-chloro-1H-indole-2-carboxamide;1-(5-bromo-1H-indol-2-yl)-2-[3-(1-methylpyrazol-4-yl)oxetan-3-yl]ethanone;5-chloro-N-(1-phenylcyclohexyl)-1H-indole-2-carboxamide;5-cyano-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-1H-indole-2-carboxamide;5-cyano-N-[3-(1-methylpyrazol-4-yl)oxetan-3-yl]-1H-indole-2-carboxamide;5-ethyl-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;N-[1-(1-methylpyrazol-4-yl)ethyl]-5-phenylmethoxy-1H-indole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-5-chloro-1H-indole-2-carboxamide;1-(5-bromo-1H-indol-2-yl)-2-[3-(1-methylpyrazol-4-yl)oxetan-3-yl]ethanone;5-chloro-N-(1-phenylcyclohexyl)-1H-indole-2-carboxamide;5-cyano-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-1H-indole-2-carboxamide;5-cyano-N-[3-(1-methylpyrazol-4-yl)oxetan-3-yl]-1H-indole-2-carboxamide;5-ethyl-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;N-[1-(1-methylpyrazol-4-yl)ethyl]-5-phenylmethoxy-1H-indole-2-carboxamide?
The IUPAC name of N-benzhydryl-5-chloro-1H-indole-2-carboxamide;1-(5-bromo-1H-indol-2-yl)-2-[3-(1-methylpyrazol-4-yl)oxetan-3-yl]ethanone;5-chloro-N-(1-phenylcyclohexyl)-1H-indole-2-carboxamide;5-cyano-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-1H-indole-2-carboxamide;5-cyano-N-[3-(1-methylpyrazol-4-yl)oxetan-3-yl]-1H-indole-2-carboxamide;5-ethyl-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;N-[1-(1-methylpyrazol-4-yl)ethyl]-5-phenylmethoxy-1H-indole-2-carboxamide (CID 160791119) is N-benzhydryl-5-chloro-1H-indole-2-carboxamide;1-(5-bromo-1H-indol-2-yl)-2-[3-(1-methylpyrazol-4-yl)oxetan-3-yl]ethanone;5-chloro-N-(1-phenylcyclohexyl)-1H-indole-2-carboxamide;5-cyano-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-1H-indole-2-carboxamide;5-cyano-N-[3-(1-methylpyrazol-4-yl)oxetan-3-yl]-1H-indole-2-carboxamide;5-ethyl-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;N-[1-(1-methylpyrazol-4-yl)ethyl]-5-phenylmethoxy-1H-indole-2-carboxamide.
What is the SMILES notation for N-benzhydryl-5-chloro-1H-indole-2-carboxamide;1-(5-bromo-1H-indol-2-yl)-2-[3-(1-methylpyrazol-4-yl)oxetan-3-yl]ethanone;5-chloro-N-(1-phenylcyclohexyl)-1H-indole-2-carboxamide;5-cyano-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-1H-indole-2-carboxamide;5-cyano-N-[3-(1-methylpyrazol-4-yl)oxetan-3-yl]-1H-indole-2-carboxamide;5-ethyl-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;N-[1-(1-methylpyrazol-4-yl)ethyl]-5-phenylmethoxy-1H-indole-2-carboxamide?
The canonical SMILES for N-benzhydryl-5-chloro-1H-indole-2-carboxamide;1-(5-bromo-1H-indol-2-yl)-2-[3-(1-methylpyrazol-4-yl)oxetan-3-yl]ethanone;5-chloro-N-(1-phenylcyclohexyl)-1H-indole-2-carboxamide;5-cyano-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-1H-indole-2-carboxamide;5-cyano-N-[3-(1-methylpyrazol-4-yl)oxetan-3-yl]-1H-indole-2-carboxamide;5-ethyl-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;N-[1-(1-methylpyrazol-4-yl)ethyl]-5-phenylmethoxy-1H-indole-2-carboxamide is CC(NC(=O)c1cc2cc(OCc3ccccc3)ccc2[nH]1)c1cnn(C)c1.CCc1ccc2[nH]c(C(=O)N[C@H](C)c3ccccc3)cc2c1.Cc1cc(C(C)NC(=O)c2cc3cc(C#N)ccc3[nH]2)no1.Cn1cc(C2(CC(=O)c3cc4cc(Br)ccc4[nH]3)COC2)cn1.Cn1cc(C2(NC(=O)c3cc4cc(C#N)ccc4[nH]3)COC2)cn1.O=C(NC(c1ccccc1)c1ccccc1)c1cc2cc(Cl)ccc2[nH]1.O=C(NC1(c2ccccc2)CCCCC1)c1cc2cc(Cl)ccc2[nH]1.
What is the InChIKey of N-benzhydryl-5-chloro-1H-indole-2-carboxamide;1-(5-bromo-1H-indol-2-yl)-2-[3-(1-methylpyrazol-4-yl)oxetan-3-yl]ethanone;5-chloro-N-(1-phenylcyclohexyl)-1H-indole-2-carboxamide;5-cyano-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-1H-indole-2-carboxamide;5-cyano-N-[3-(1-methylpyrazol-4-yl)oxetan-3-yl]-1H-indole-2-carboxamide;5-ethyl-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;N-[1-(1-methylpyrazol-4-yl)ethyl]-5-phenylmethoxy-1H-indole-2-carboxamide?
The InChIKey is SBVJIAHXWIWTGV-OYFKQDOVSA-N. The full InChI is InChI=1S/C22H17ClN2O.C22H22N4O2.C21H21ClN2O.C19H20N2O.C17H16BrN3O2.C17H15N5O2.C16H14N4O2/c23-18-11-12-19-17(13-18)14-20(24-19)22(26)25-21(15-7-3-1-4-8-15)16-9-5-2-6-10-16;1-15(18-12-23-26(2)13-18)24-22(27)21-11-17-10-19(8-9-20(17)25-21)28-14-16-6-4-3-5-7-16;22-17-9-10-18-15(13-17)14-19(23-18)20(25)24-21(11-5-2-6-12-21)16-7-3-1-4-8-16;1-3-14-9-10-17-16(11-14)12-18(21-17)19(22)20-13(2)15-7-5-4-6-8-15;1-21-8-12(7-19-21)17(9-23-10-17)6-16(22)15-5-11-4-13(18)2-3-14(11)20-15;1-22-8-13(7-19-22)17(9-24-10-17)21-16(23)15-5-12-4-11(6-18)2-3-14(12)20-15;1-9-5-14(20-22-9)10(2)18-16(21)15-7-12-6-11(8-17)3-4-13(12)19-15/h1-14,21,24H,(H,25,26);3-13,15,25H,14H2,1-2H3,(H,24,27);1,3-4,7-10,13-14,23H,2,5-6,11-12H2,(H,24,25);4-13,21H,3H2,1-2H3,(H,20,22);2-5,7-8,20H,6,9-10H2,1H3;2-5,7-8,20H,9-10H2,1H3,(H,21,23);3-7,10,19H,1-2H3,(H,18,21)/t;;;13-;;;/m...1.../s1.
What are the key properties of N-benzhydryl-5-chloro-1H-indole-2-carboxamide;1-(5-bromo-1H-indol-2-yl)-2-[3-(1-methylpyrazol-4-yl)oxetan-3-yl]ethanone;5-chloro-N-(1-phenylcyclohexyl)-1H-indole-2-carboxamide;5-cyano-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-1H-indole-2-carboxamide;5-cyano-N-[3-(1-methylpyrazol-4-yl)oxetan-3-yl]-1H-indole-2-carboxamide;5-ethyl-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;N-[1-(1-methylpyrazol-4-yl)ethyl]-5-phenylmethoxy-1H-indole-2-carboxamide?
N-benzhydryl-5-chloro-1H-indole-2-carboxamide;1-(5-bromo-1H-indol-2-yl)-2-[3-(1-methylpyrazol-4-yl)oxetan-3-yl]ethanone;5-chloro-N-(1-phenylcyclohexyl)-1H-indole-2-carboxamide;5-cyano-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-1H-indole-2-carboxamide;5-cyano-N-[3-(1-methylpyrazol-4-yl)oxetan-3-yl]-1H-indole-2-carboxamide;5-ethyl-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;N-[1-(1-methylpyrazol-4-yl)ethyl]-5-phenylmethoxy-1H-indole-2-carboxamide has a molecular weight of 2370.43 g/mol, XLogP of 26.40, 27 rotatable bonds, 13 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-5-chloro-1H-indole-2-carboxamide;1-(5-bromo-1H-indol-2-yl)-2-[3-(1-methylpyrazol-4-yl)oxetan-3-yl]ethanone;5-chloro-N-(1-phenylcyclohexyl)-1H-indole-2-carboxamide;5-cyano-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-1H-indole-2-carboxamide;5-cyano-N-[3-(1-methylpyrazol-4-yl)oxetan-3-yl]-1H-indole-2-carboxamide;5-ethyl-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;N-[1-(1-methylpyrazol-4-yl)ethyl]-5-phenylmethoxy-1H-indole-2-carboxamide is sourced from PubChem (CID 160791119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).