N-[(4-chlorophenyl)methyl]-6-methoxy-1H-indole-3-carboxamide

C17H15ClN2O2 — CID 113206537

IUPACN-[(4-chlorophenyl)methyl]-6-methoxy-1H-indole-3-carboxamide
SMILESCOc1ccc2c(C(=O)NCc3ccc(Cl)cc3)c[nH]c2c1
InChIInChI=1S/C17H15ClN2O2/c1-22-13-6-7-14-15(10-19-16(14)8-13)17(21)20-9-11-2-4-12(18)5-3-11/h2-8,10,19H,9H2,1H3,(H,20,21)
InChIKeyNXJZJRALEVXJFU-UHFFFAOYSA-N
MW314.77 g/mol
LogP3.76
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-6-methoxy-1H-indole-3-carboxamide

N-[(4-chlorophenyl)methyl]-6-methoxy-1H-indole-3-carboxamide (PubChem CID 113206537) has the molecular formula C17H15ClN2O2 and a molecular weight of 314.77 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-6-methoxy-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-6-methoxy-1H-indole-3-carboxamide
PubChem CID113206537
Molecular FormulaC17H15ClN2O2
Molecular Weight314.77 g/mol
Exact Mass314.08
IUPAC NameN-[(4-chlorophenyl)methyl]-6-methoxy-1H-indole-3-carboxamide
SMILESCOc1ccc2c(C(=O)NCc3ccc(Cl)cc3)c[nH]c2c1
InChIInChI=1S/C17H15ClN2O2/c1-22-13-6-7-14-15(10-19-16(14)8-13)17(21)20-9-11-2-4-12(18)5-3-11/h2-8,10,19H,9H2,1H3,(H,20,21)
InChIKeyNXJZJRALEVXJFU-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

6-methoxy-N-[(4-methoxyphenyl)methyl]-1H-indole-3-carboxamide
CID 113206539
5-chloro-N-[(4-methoxyphenyl)methyl]-1H-indole-3-carboxamide
CID 113205803
6-chloro-N-[2-(4-methoxyphenyl)ethyl]-1H-indole-3-carboxamide
CID 113206381
N-[[3-(3-amino-5-chlorophenoxy)-4-chlorophenyl]methyl]-6-methoxy-1H-indole-3-carboxamide
CID 89041845
N-[2-(4-chlorophenyl)ethyl]-5-methoxy-1H-indole-3-carboxamide
CID 113206005
6-methoxy-N-[(2-methylphenyl)methyl]-1H-indole-3-carboxamide
CID 113206529
N-butyl-6-methoxy-1H-indole-3-carboxamide
CID 113206507
6-methoxy-N-prop-2-enyl-1H-indole-3-carboxamide
CID 113206506
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methoxy-1H-indole-3-carboxamide
CID 113206560
N-[(4-chlorophenyl)methyl]-2-(6-methoxy-1H-indol-3-yl)ethanamine;oxalic acid
CID 17053017
N-[(4-chlorophenyl)methyl]-6-(2-hydroxyethoxy)-4-oxo-1H-quinoline-3-carboxamide
CID 18698657
2,4-dichloro-N-[(4-methoxyphenyl)methyl]benzamide
CID 779696

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-6-methoxy-1H-indole-3-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-6-methoxy-1H-indole-3-carboxamide (CID 113206537) is N-[(4-chlorophenyl)methyl]-6-methoxy-1H-indole-3-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-6-methoxy-1H-indole-3-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-6-methoxy-1H-indole-3-carboxamide is COc1ccc2c(C(=O)NCc3ccc(Cl)cc3)c[nH]c2c1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-6-methoxy-1H-indole-3-carboxamide?
The InChIKey is NXJZJRALEVXJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2/c1-22-13-6-7-14-15(10-19-16(14)8-13)17(21)20-9-11-2-4-12(18)5-3-11/h2-8,10,19H,9H2,1H3,(H,20,21).
What are the key properties of N-[(4-chlorophenyl)methyl]-6-methoxy-1H-indole-3-carboxamide?
N-[(4-chlorophenyl)methyl]-6-methoxy-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 N-[(4-chlorophenyl)methyl]-6-methoxy-1H-indole-3-carboxamide is sourced from PubChem (CID 113206537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).