5-chloro-N-[(4-methoxyphenyl)methyl]-1H-indole-3-carboxamide

C17H15ClN2O2 — CID 113205803

IUPAC5-chloro-N-[(4-methoxyphenyl)methyl]-1H-indole-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2c[nH]c3ccc(Cl)cc23)cc1
InChIInChI=1S/C17H15ClN2O2/c1-22-13-5-2-11(3-6-13)9-20-17(21)15-10-19-16-7-4-12(18)8-14(15)16/h2-8,10,19H,9H2,1H3,(H,20,21)
InChIKeyLAJNYPGSMNUANP-UHFFFAOYSA-N
MW314.77 g/mol
LogP3.76
Rot. Bonds4

About 5-chloro-N-[(4-methoxyphenyl)methyl]-1H-indole-3-carboxamide

5-chloro-N-[(4-methoxyphenyl)methyl]-1H-indole-3-carboxamide (PubChem CID 113205803) has the molecular formula C17H15ClN2O2 and a molecular weight of 314.77 g/mol. Its IUPAC name is 5-chloro-N-[(4-methoxyphenyl)methyl]-1H-indole-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(4-methoxyphenyl)methyl]-1H-indole-3-carboxamide
PubChem CID113205803
Molecular FormulaC17H15ClN2O2
Molecular Weight314.77 g/mol
Exact Mass314.08
IUPAC Name5-chloro-N-[(4-methoxyphenyl)methyl]-1H-indole-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2c[nH]c3ccc(Cl)cc23)cc1
InChIInChI=1S/C17H15ClN2O2/c1-22-13-5-2-11(3-6-13)9-20-17(21)15-10-19-16-7-4-12(18)8-14(15)16/h2-8,10,19H,9H2,1H3,(H,20,21)
InChIKeyLAJNYPGSMNUANP-UHFFFAOYSA-N
XLogP3.76
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-chlorophenyl)methyl]-6-methoxy-1H-indole-3-carboxamide
CID 113206537
1-(5-chloro-1H-indol-3-yl)-2-(4-methoxyphenyl)ethanone
CID 63879051
6-methoxy-N-[(4-methoxyphenyl)methyl]-1H-indole-3-carboxamide
CID 113206539
N-[2-(4-chlorophenyl)ethyl]-5-methoxy-1H-indole-3-carboxamide
CID 113206005
6-chloro-N-[2-(4-methoxyphenyl)ethyl]-1H-indole-3-carboxamide
CID 113206381
2,4-dichloro-N-[(4-methoxyphenyl)methyl]benzamide
CID 779696
5-chloro-N-propyl-1H-indole-3-carboxamide
CID 113205770
N-benzyl-6-methoxy-4-oxo-1H-quinoline-3-carboxamide
CID 18473067
5-chloro-N-[(4-methoxyphenyl)methyl]-2-(methylamino)benzamide
CID 62173121
2-(5-chloro-1H-indol-3-yl)-N-[(4-chlorophenyl)methyl]acetamide
CID 113209503
N-(4-chlorophenyl)-5-methoxy-1H-indole-3-carboxamide
CID 113206063
N-[(4-chlorophenyl)methyl]-6-(2-hydroxyethoxy)-4-oxo-1H-quinoline-3-carboxamide
CID 18698657

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(4-methoxyphenyl)methyl]-1H-indole-3-carboxamide?
The IUPAC name of 5-chloro-N-[(4-methoxyphenyl)methyl]-1H-indole-3-carboxamide (CID 113205803) is 5-chloro-N-[(4-methoxyphenyl)methyl]-1H-indole-3-carboxamide.
What is the SMILES notation for 5-chloro-N-[(4-methoxyphenyl)methyl]-1H-indole-3-carboxamide?
The canonical SMILES for 5-chloro-N-[(4-methoxyphenyl)methyl]-1H-indole-3-carboxamide is COc1ccc(CNC(=O)c2c[nH]c3ccc(Cl)cc23)cc1.
What is the InChIKey of 5-chloro-N-[(4-methoxyphenyl)methyl]-1H-indole-3-carboxamide?
The InChIKey is LAJNYPGSMNUANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2/c1-22-13-5-2-11(3-6-13)9-20-17(21)15-10-19-16-7-4-12(18)8-14(15)16/h2-8,10,19H,9H2,1H3,(H,20,21).
What are the key properties of 5-chloro-N-[(4-methoxyphenyl)methyl]-1H-indole-3-carboxamide?
5-chloro-N-[(4-methoxyphenyl)methyl]-1H-indole-3-carboxamide has a molecular weight of 314.77 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(4-methoxyphenyl)methyl]-1H-indole-3-carboxamide is sourced from PubChem (CID 113205803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).