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

C19H19ClN2O2 — CID 113205294

IUPAC6-chloro-N-[2-(4-methoxyphenyl)ethyl]-3-methyl-1H-indole-2-carboxamide
SMILESCOc1ccc(CCNC(=O)c2[nH]c3cc(Cl)ccc3c2C)cc1
InChIInChI=1S/C19H19ClN2O2/c1-12-16-8-5-14(20)11-17(16)22-18(12)19(23)21-10-9-13-3-6-15(24-2)7-4-13/h3-8,11,22H,9-10H2,1-2H3,(H,21,23)
InChIKeyQUDJYZGICPZWSO-UHFFFAOYSA-N
MW342.83 g/mol
LogP4.11
Rot. Bonds5

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

6-chloro-N-[2-(4-methoxyphenyl)ethyl]-3-methyl-1H-indole-2-carboxamide (PubChem CID 113205294) has the molecular formula C19H19ClN2O2 and a molecular weight of 342.83 g/mol. Its IUPAC name is 6-chloro-N-[2-(4-methoxyphenyl)ethyl]-3-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[2-(4-methoxyphenyl)ethyl]-3-methyl-1H-indole-2-carboxamide
PubChem CID113205294
Molecular FormulaC19H19ClN2O2
Molecular Weight342.83 g/mol
Exact Mass342.11
IUPAC Name6-chloro-N-[2-(4-methoxyphenyl)ethyl]-3-methyl-1H-indole-2-carboxamide
SMILESCOc1ccc(CCNC(=O)c2[nH]c3cc(Cl)ccc3c2C)cc1
InChIInChI=1S/C19H19ClN2O2/c1-12-16-8-5-14(20)11-17(16)22-18(12)19(23)21-10-9-13-3-6-15(24-2)7-4-13/h3-8,11,22H,9-10H2,1-2H3,(H,21,23)
InChIKeyQUDJYZGICPZWSO-UHFFFAOYSA-N
XLogP4.11
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

6-methoxy-N-[(4-methoxyphenyl)methyl]-3-methyl-1H-indole-2-carboxamide
CID 113205411
6-chloro-N-[2-(4-methoxyphenyl)ethyl]-1H-indole-3-carboxamide
CID 113206381
4-chloro-2-fluoro-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 26024473
5-chloro-2-fluoro-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 26586018
ethyl 6-chloro-3-[2-(4-methoxyphenyl)ethyl]-1H-indole-2-carboxylate
CID 102170434
methyl 5-[2-(4-methoxyphenyl)ethylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 51157865
3-[[2-(4-chlorophenyl)ethylamino]methyl]-6-methoxy-1H-indole-2-carboxylic acid
CID 53208728
N-[(4-chlorophenyl)methyl]-3,6-dimethyl-1H-indole-2-carboxamide
CID 113204978
6-methoxy-3-methyl-N-(pyridin-4-ylmethyl)-1H-indole-2-carboxamide
CID 113205416
N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-2-(4-methoxyphenyl)acetamide
CID 113086017
N-[2-(4-chlorophenyl)ethyl]-5-methoxy-1H-indole-3-carboxamide
CID 113206005
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]-3-methyl-1H-indole-2-carboxamide?
The IUPAC name of 6-chloro-N-[2-(4-methoxyphenyl)ethyl]-3-methyl-1H-indole-2-carboxamide (CID 113205294) is 6-chloro-N-[2-(4-methoxyphenyl)ethyl]-3-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[2-(4-methoxyphenyl)ethyl]-3-methyl-1H-indole-2-carboxamide?
The canonical SMILES for 6-chloro-N-[2-(4-methoxyphenyl)ethyl]-3-methyl-1H-indole-2-carboxamide is COc1ccc(CCNC(=O)c2[nH]c3cc(Cl)ccc3c2C)cc1.
What is the InChIKey of 6-chloro-N-[2-(4-methoxyphenyl)ethyl]-3-methyl-1H-indole-2-carboxamide?
The InChIKey is QUDJYZGICPZWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O2/c1-12-16-8-5-14(20)11-17(16)22-18(12)19(23)21-10-9-13-3-6-15(24-2)7-4-13/h3-8,11,22H,9-10H2,1-2H3,(H,21,23).
What are the key properties of 6-chloro-N-[2-(4-methoxyphenyl)ethyl]-3-methyl-1H-indole-2-carboxamide?
6-chloro-N-[2-(4-methoxyphenyl)ethyl]-3-methyl-1H-indole-2-carboxamide has a molecular weight of 342.83 g/mol, XLogP of 4.11, 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]-3-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 113205294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).