1-[(5-chloro-2-methoxyphenyl)methyl]-5-cyano-N-[[1-(hydroxymethyl)cyclobutyl]methyl]indole-2-carboxamide

C24H24ClN3O3 — CID 54580115

IUPAC1-[(5-chloro-2-methoxyphenyl)methyl]-5-cyano-N-[[1-(hydroxymethyl)cyclobutyl]methyl]indole-2-carboxamide
SMILESCOc1ccc(Cl)cc1Cn1c(C(=O)NCC2(CO)CCC2)cc2cc(C#N)ccc21
InChIInChI=1S/C24H24ClN3O3/c1-31-22-6-4-19(25)10-18(22)13-28-20-5-3-16(12-26)9-17(20)11-21(28)23(30)27-14-24(15-29)7-2-8-24/h3-6,9-11,29H,2,7-8,13-15H2,1H3,(H,27,30)
InChIKeyBGXMTPNPBVICTD-UHFFFAOYSA-N
MW437.93 g/mol
LogP4.12
Rot. Bonds7

About 1-[(5-chloro-2-methoxyphenyl)methyl]-5-cyano-N-[[1-(hydroxymethyl)cyclobutyl]methyl]indole-2-carboxamide

1-[(5-chloro-2-methoxyphenyl)methyl]-5-cyano-N-[[1-(hydroxymethyl)cyclobutyl]methyl]indole-2-carboxamide (PubChem CID 54580115) has the molecular formula C24H24ClN3O3 and a molecular weight of 437.93 g/mol. Its IUPAC name is 1-[(5-chloro-2-methoxyphenyl)methyl]-5-cyano-N-[[1-(hydroxymethyl)cyclobutyl]methyl]indole-2-carboxamide.

Molecular Properties

Compound Name1-[(5-chloro-2-methoxyphenyl)methyl]-5-cyano-N-[[1-(hydroxymethyl)cyclobutyl]methyl]indole-2-carboxamide
PubChem CID54580115
Molecular FormulaC24H24ClN3O3
Molecular Weight437.93 g/mol
Exact Mass437.15
IUPAC Name1-[(5-chloro-2-methoxyphenyl)methyl]-5-cyano-N-[[1-(hydroxymethyl)cyclobutyl]methyl]indole-2-carboxamide
SMILESCOc1ccc(Cl)cc1Cn1c(C(=O)NCC2(CO)CCC2)cc2cc(C#N)ccc21
InChIInChI=1S/C24H24ClN3O3/c1-31-22-6-4-19(25)10-18(22)13-28-20-5-3-16(12-26)9-17(20)11-21(28)23(30)27-14-24(15-29)7-2-8-24/h3-6,9-11,29H,2,7-8,13-15H2,1H3,(H,27,30)
InChIKeyBGXMTPNPBVICTD-UHFFFAOYSA-N
XLogP4.12
TPSA87.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.93
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(5-chloro-2-methoxyphenyl)methyl]-5-cyano-N-[[1-(hydroxymethyl)cyclobutyl]methyl]indole-2-carboxamide with MolForge

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Related Compounds

5-cyano-N-(3-hydroxy-2,2-dimethylpropyl)-1-[(2-methoxy-5-methylphenyl)methyl]indole-2-carboxamide
CID 24890180
5-cyano-N-(3-hydroxy-2,2-dimethylpropyl)-1-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]indole-2-carboxamide
CID 24890182
5-cyano-N-(3-hydroxy-2,2-dimethylpropyl)-1-[[3-(trifluoromethoxy)phenyl]methyl]indole-2-carboxamide
CID 24890183
1-[(5-bromo-2-methoxyphenyl)methyl]-5-cyano-N-(3-hydroxy-2,2-dimethylpropyl)indole-2-carboxamide
CID 24890184
1-[(5-chloro-2-methoxyphenyl)methyl]-5-cyano-N-(3-hydroxy-2,2-dimethylpropyl)indole-2-carboxamide
CID 24890017
5-Cyano-1-(3-trifluoromethoxybenzyl)-1H-indole-2-carboxylic acid (3-hydroxybutyl)amide
CID 54580117
5-cyano-N-[2-(1-hydroxycyclobutyl)ethyl]-1-[[2-methoxy-5-(trifluoromethyl)phenyl]methyl]indole-2-carboxamide
CID 54581092
5-cyano-N-[2-(1-hydroxycyclobutyl)ethyl]-1-[[3-(trifluoromethoxy)phenyl]methyl]indole-2-carboxamide
CID 54581093
1-[(5-bromo-2-methoxyphenyl)methyl]-5-cyano-N-(3-hydroxypropyl)indole-2-carboxamide
CID 54582133
5-cyano-N-(2-hydroxy-2-methylpropyl)-1-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]indole-2-carboxamide
CID 54583077
5-cyano-N-(3-hydroxy-3-methylbutyl)-1-[[3-(trifluoromethoxy)phenyl]methyl]indole-2-carboxamide
CID 54583078
5-cyano-N-(3-hydroxy-2,2-dimethylpropyl)-1-[(3-propoxyphenyl)methyl]indole-2-carboxamide
CID 54584079

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-2-methoxyphenyl)methyl]-5-cyano-N-[[1-(hydroxymethyl)cyclobutyl]methyl]indole-2-carboxamide?
The IUPAC name of 1-[(5-chloro-2-methoxyphenyl)methyl]-5-cyano-N-[[1-(hydroxymethyl)cyclobutyl]methyl]indole-2-carboxamide (CID 54580115) is 1-[(5-chloro-2-methoxyphenyl)methyl]-5-cyano-N-[[1-(hydroxymethyl)cyclobutyl]methyl]indole-2-carboxamide.
What is the SMILES notation for 1-[(5-chloro-2-methoxyphenyl)methyl]-5-cyano-N-[[1-(hydroxymethyl)cyclobutyl]methyl]indole-2-carboxamide?
The canonical SMILES for 1-[(5-chloro-2-methoxyphenyl)methyl]-5-cyano-N-[[1-(hydroxymethyl)cyclobutyl]methyl]indole-2-carboxamide is COc1ccc(Cl)cc1Cn1c(C(=O)NCC2(CO)CCC2)cc2cc(C#N)ccc21.
What is the InChIKey of 1-[(5-chloro-2-methoxyphenyl)methyl]-5-cyano-N-[[1-(hydroxymethyl)cyclobutyl]methyl]indole-2-carboxamide?
The InChIKey is BGXMTPNPBVICTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN3O3/c1-31-22-6-4-19(25)10-18(22)13-28-20-5-3-16(12-26)9-17(20)11-21(28)23(30)27-14-24(15-29)7-2-8-24/h3-6,9-11,29H,2,7-8,13-15H2,1H3,(H,27,30).
What are the key properties of 1-[(5-chloro-2-methoxyphenyl)methyl]-5-cyano-N-[[1-(hydroxymethyl)cyclobutyl]methyl]indole-2-carboxamide?
1-[(5-chloro-2-methoxyphenyl)methyl]-5-cyano-N-[[1-(hydroxymethyl)cyclobutyl]methyl]indole-2-carboxamide has a molecular weight of 437.93 g/mol, XLogP of 4.12, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-2-methoxyphenyl)methyl]-5-cyano-N-[[1-(hydroxymethyl)cyclobutyl]methyl]indole-2-carboxamide is sourced from PubChem (CID 54580115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).