1-(2-chlorophenyl)-N,N-diethyl-5-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide

C23H25ClN2O2 — CID 7212658

IUPAC1-(2-chlorophenyl)-N,N-diethyl-5-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide
SMILESCCN(CC)C(=O)c1cc(-c2ccc(OC)cc2)n(-c2ccccc2Cl)c1C
InChIInChI=1S/C23H25ClN2O2/c1-5-25(6-2)23(27)19-15-22(17-11-13-18(28-4)14-12-17)26(16(19)3)21-10-8-7-9-20(21)24/h7-15H,5-6H2,1-4H3
InChIKeyPKIFLZCUSBACEV-UHFFFAOYSA-N
MW396.92 g/mol
LogP5.60
Rot. Bonds6

About 1-(2-chlorophenyl)-N,N-diethyl-5-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide

1-(2-chlorophenyl)-N,N-diethyl-5-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide (PubChem CID 7212658) has the molecular formula C23H25ClN2O2 and a molecular weight of 396.92 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N,N-diethyl-5-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N,N-diethyl-5-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide
PubChem CID7212658
Molecular FormulaC23H25ClN2O2
Molecular Weight396.92 g/mol
Exact Mass396.16
IUPAC Name1-(2-chlorophenyl)-N,N-diethyl-5-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide
SMILESCCN(CC)C(=O)c1cc(-c2ccc(OC)cc2)n(-c2ccccc2Cl)c1C
InChIInChI=1S/C23H25ClN2O2/c1-5-25(6-2)23(27)19-15-22(17-11-13-18(28-4)14-12-17)26(16(19)3)21-10-8-7-9-20(21)24/h7-15H,5-6H2,1-4H3
InChIKeyPKIFLZCUSBACEV-UHFFFAOYSA-N
XLogP5.60
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.92
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_B(29)', 'substructure': 'N/A'}

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Related Compounds

1-(2-chlorophenyl)-5-(4-methoxyphenyl)-N-(3-methoxypropyl)-2-methylpyrrole-3-carboxamide
CID 7306923
[1-(2-chlorophenyl)-5-(4-methoxyphenyl)-2-methylpyrrol-3-yl]-pyrrolidin-1-ylmethanone
CID 7231060
1-(2-chlorophenyl)-5-(4-methoxyphenyl)-2-methyl-N-[(2S)-3-methylbutan-2-yl]pyrrole-3-carboxamide
CID 7230230
4-[1-(2-chlorophenyl)-5-(4-methoxyphenyl)-2-methylpyrrole-3-carbonyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 3918874
(3-chlorophenyl)-[4-[1-(2-chlorophenyl)-5-(4-methoxyphenyl)-2-methylpyrrole-3-carbonyl]piperazin-1-yl]methanone
CID 42666443
[1-(2-chlorophenyl)-5-(4-methoxyphenyl)-2-methylpyrrol-3-yl]-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 91569601
N,N-diethyl-5-(4-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 110336301
N-butyl-1-(2-chlorophenyl)-2-methyl-5-phenylpyrrole-3-carboxamide
CID 7213171
4-[1-(2-chlorophenyl)-5-(4-methoxyphenyl)-2-methylpyrrole-3-carbonyl]-N-(2,4-difluorophenyl)piperazine-1-carboxamide
CID 3891459
1-(2-chlorophenyl)-2-methyl-N-(3-methylbutyl)-5-phenylpyrrole-3-carboxamide
CID 7288841
[5-(4-chlorophenyl)-1-(4-methoxyphenyl)-2-methylpyrrol-3-yl]-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone
CID 42785655
1-(2-fluorophenyl)-5-(4-methoxyphenyl)-2-methyl-N-(4-methylphenyl)pyrrole-3-carboxamide
CID 7230977

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N,N-diethyl-5-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-N,N-diethyl-5-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide (CID 7212658) is 1-(2-chlorophenyl)-N,N-diethyl-5-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N,N-diethyl-5-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-N,N-diethyl-5-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide is CCN(CC)C(=O)c1cc(-c2ccc(OC)cc2)n(-c2ccccc2Cl)c1C.
What is the InChIKey of 1-(2-chlorophenyl)-N,N-diethyl-5-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide?
The InChIKey is PKIFLZCUSBACEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN2O2/c1-5-25(6-2)23(27)19-15-22(17-11-13-18(28-4)14-12-17)26(16(19)3)21-10-8-7-9-20(21)24/h7-15H,5-6H2,1-4H3.
What are the key properties of 1-(2-chlorophenyl)-N,N-diethyl-5-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide?
1-(2-chlorophenyl)-N,N-diethyl-5-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide has a molecular weight of 396.92 g/mol, XLogP of 5.60, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N,N-diethyl-5-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide is sourced from PubChem (CID 7212658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).