6-chloro-N-[2-(4-methoxyphenyl)ethyl]-1H-indole-3-carboxamide

C18H17ClN2O2 — CID 113206381

IUPAC6-chloro-N-[2-(4-methoxyphenyl)ethyl]-1H-indole-3-carboxamide
SMILESCOc1ccc(CCNC(=O)c2c[nH]c3cc(Cl)ccc23)cc1
InChIInChI=1S/C18H17ClN2O2/c1-23-14-5-2-12(3-6-14)8-9-20-18(22)16-11-21-17-10-13(19)4-7-15(16)17/h2-7,10-11,21H,8-9H2,1H3,(H,20,22)
InChIKeyWVNCBTKYEDWBQB-UHFFFAOYSA-N
MW328.80 g/mol
LogP3.80
Rot. Bonds5

About 6-chloro-N-[2-(4-methoxyphenyl)ethyl]-1H-indole-3-carboxamide

6-chloro-N-[2-(4-methoxyphenyl)ethyl]-1H-indole-3-carboxamide (PubChem CID 113206381) has the molecular formula C18H17ClN2O2 and a molecular weight of 328.80 g/mol. Its IUPAC name is 6-chloro-N-[2-(4-methoxyphenyl)ethyl]-1H-indole-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[2-(4-methoxyphenyl)ethyl]-1H-indole-3-carboxamide
PubChem CID113206381
Molecular FormulaC18H17ClN2O2
Molecular Weight328.80 g/mol
Exact Mass328.10
IUPAC Name6-chloro-N-[2-(4-methoxyphenyl)ethyl]-1H-indole-3-carboxamide
SMILESCOc1ccc(CCNC(=O)c2c[nH]c3cc(Cl)ccc23)cc1
InChIInChI=1S/C18H17ClN2O2/c1-23-14-5-2-12(3-6-14)8-9-20-18(22)16-11-21-17-10-13(19)4-7-15(16)17/h2-7,10-11,21H,8-9H2,1H3,(H,20,22)
InChIKeyWVNCBTKYEDWBQB-UHFFFAOYSA-N
XLogP3.80
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-5-methoxy-1H-indole-3-carboxamide
CID 113206005
N-[(4-chlorophenyl)methyl]-6-methoxy-1H-indole-3-carboxamide
CID 113206537
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methoxy-1H-indole-3-carboxamide
CID 113206560
5-chloro-2-fluoro-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 26586018
5-chloro-N-[(4-methoxyphenyl)methyl]-1H-indole-3-carboxamide
CID 113205803
6-chloro-N-[2-(4-methoxyphenyl)ethyl]-3-methyl-1H-indole-2-carboxamide
CID 113205294
4-chloro-2-fluoro-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 26024473
6-methoxy-N-[(4-methoxyphenyl)methyl]-1H-indole-3-carboxamide
CID 113206539
N-butyl-6-methoxy-1H-indole-3-carboxamide
CID 113206507
2-(6-chloro-1H-indol-3-yl)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 113209744
1-(5-chloro-1H-indol-3-yl)-2-(4-methoxyphenyl)ethanone
CID 63879051
N-[2-(4-methoxyphenyl)ethyl]-2,4,5-trimethylbenzamide
CID 100708090

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(4-methoxyphenyl)ethyl]-1H-indole-3-carboxamide?
The IUPAC name of 6-chloro-N-[2-(4-methoxyphenyl)ethyl]-1H-indole-3-carboxamide (CID 113206381) is 6-chloro-N-[2-(4-methoxyphenyl)ethyl]-1H-indole-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[2-(4-methoxyphenyl)ethyl]-1H-indole-3-carboxamide?
The canonical SMILES for 6-chloro-N-[2-(4-methoxyphenyl)ethyl]-1H-indole-3-carboxamide is COc1ccc(CCNC(=O)c2c[nH]c3cc(Cl)ccc23)cc1.
What is the InChIKey of 6-chloro-N-[2-(4-methoxyphenyl)ethyl]-1H-indole-3-carboxamide?
The InChIKey is WVNCBTKYEDWBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O2/c1-23-14-5-2-12(3-6-14)8-9-20-18(22)16-11-21-17-10-13(19)4-7-15(16)17/h2-7,10-11,21H,8-9H2,1H3,(H,20,22).
What are the key properties of 6-chloro-N-[2-(4-methoxyphenyl)ethyl]-1H-indole-3-carboxamide?
6-chloro-N-[2-(4-methoxyphenyl)ethyl]-1H-indole-3-carboxamide has a molecular weight of 328.80 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-(4-methoxyphenyl)ethyl]-1H-indole-3-carboxamide is sourced from PubChem (CID 113206381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).