1-(2-chlorophenyl)-5-(4-methoxyphenyl)-2-methyl-N-[(2S)-3-methylbutan-2-yl]pyrrole-3-carboxamide

C24H27ClN2O2 — CID 7230230

IUPAC1-(2-chlorophenyl)-5-(4-methoxyphenyl)-2-methyl-N-[(2S)-3-methylbutan-2-yl]pyrrole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)N[C@@H](C)C(C)C)c(C)n2-c2ccccc2Cl)cc1
InChIInChI=1S/C24H27ClN2O2/c1-15(2)16(3)26-24(28)20-14-23(18-10-12-19(29-5)13-11-18)27(17(20)4)22-9-7-6-8-21(22)25/h6-16H,1-5H3,(H,26,28)/t16-/m0/s1
InChIKeyGSPSYLKRXNZYNS-INIZCTEOSA-N
MW410.95 g/mol
LogP5.89
Rot. Bonds6

About 1-(2-chlorophenyl)-5-(4-methoxyphenyl)-2-methyl-N-[(2S)-3-methylbutan-2-yl]pyrrole-3-carboxamide

1-(2-chlorophenyl)-5-(4-methoxyphenyl)-2-methyl-N-[(2S)-3-methylbutan-2-yl]pyrrole-3-carboxamide (PubChem CID 7230230) has the molecular formula C24H27ClN2O2 and a molecular weight of 410.95 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-5-(4-methoxyphenyl)-2-methyl-N-[(2S)-3-methylbutan-2-yl]pyrrole-3-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-5-(4-methoxyphenyl)-2-methyl-N-[(2S)-3-methylbutan-2-yl]pyrrole-3-carboxamide
PubChem CID7230230
Molecular FormulaC24H27ClN2O2
Molecular Weight410.95 g/mol
Exact Mass410.18
IUPAC Name1-(2-chlorophenyl)-5-(4-methoxyphenyl)-2-methyl-N-[(2S)-3-methylbutan-2-yl]pyrrole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)N[C@@H](C)C(C)C)c(C)n2-c2ccccc2Cl)cc1
InChIInChI=1S/C24H27ClN2O2/c1-15(2)16(3)26-24(28)20-14-23(18-10-12-19(29-5)13-11-18)27(17(20)4)22-9-7-6-8-21(22)25/h6-16H,1-5H3,(H,26,28)/t16-/m0/s1
InChIKeyGSPSYLKRXNZYNS-INIZCTEOSA-N
XLogP5.89
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.95
LogP ≤ 55.89
H-Bond Donors ≤ 51
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
5-(4-chlorophenyl)-2-methyl-N-(3-methylbutan-2-yl)-1-(2-methylphenyl)pyrrole-3-carboxamide
CID 46126620
[1-(2-chlorophenyl)-5-(4-methoxyphenyl)-2-methylpyrrol-3-yl]-pyrrolidin-1-ylmethanone
CID 7231060
1-(2-chlorophenyl)-N,N-diethyl-5-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide
CID 7212658
4-[1-(2-chlorophenyl)-5-(4-methoxyphenyl)-2-methylpyrrole-3-carbonyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 3918874
1-(2-fluorophenyl)-5-(4-methoxyphenyl)-2-methyl-N-(4-methylphenyl)pyrrole-3-carboxamide
CID 7230977
N-[(2R)-butan-2-yl]-5-(4-chlorophenyl)-1-(2-methoxyphenyl)-2-methylpyrrole-3-carboxamide
CID 7295044
(3-chlorophenyl)-[4-[1-(2-chlorophenyl)-5-(4-methoxyphenyl)-2-methylpyrrole-3-carbonyl]piperazin-1-yl]methanone
CID 42666443
1-(2-chlorophenyl)-2-methyl-N-(3-methylbutyl)-5-phenylpyrrole-3-carboxamide
CID 7288841
5-(4-chlorophenyl)-2-methyl-1-phenyl-N-propan-2-ylpyrrole-3-carboxamide
CID 7213689
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

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-5-(4-methoxyphenyl)-2-methyl-N-[(2S)-3-methylbutan-2-yl]pyrrole-3-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-5-(4-methoxyphenyl)-2-methyl-N-[(2S)-3-methylbutan-2-yl]pyrrole-3-carboxamide (CID 7230230) is 1-(2-chlorophenyl)-5-(4-methoxyphenyl)-2-methyl-N-[(2S)-3-methylbutan-2-yl]pyrrole-3-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-5-(4-methoxyphenyl)-2-methyl-N-[(2S)-3-methylbutan-2-yl]pyrrole-3-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-5-(4-methoxyphenyl)-2-methyl-N-[(2S)-3-methylbutan-2-yl]pyrrole-3-carboxamide is COc1ccc(-c2cc(C(=O)N[C@@H](C)C(C)C)c(C)n2-c2ccccc2Cl)cc1.
What is the InChIKey of 1-(2-chlorophenyl)-5-(4-methoxyphenyl)-2-methyl-N-[(2S)-3-methylbutan-2-yl]pyrrole-3-carboxamide?
The InChIKey is GSPSYLKRXNZYNS-INIZCTEOSA-N. The full InChI is InChI=1S/C24H27ClN2O2/c1-15(2)16(3)26-24(28)20-14-23(18-10-12-19(29-5)13-11-18)27(17(20)4)22-9-7-6-8-21(22)25/h6-16H,1-5H3,(H,26,28)/t16-/m0/s1.
What are the key properties of 1-(2-chlorophenyl)-5-(4-methoxyphenyl)-2-methyl-N-[(2S)-3-methylbutan-2-yl]pyrrole-3-carboxamide?
1-(2-chlorophenyl)-5-(4-methoxyphenyl)-2-methyl-N-[(2S)-3-methylbutan-2-yl]pyrrole-3-carboxamide has a molecular weight of 410.95 g/mol, XLogP of 5.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-5-(4-methoxyphenyl)-2-methyl-N-[(2S)-3-methylbutan-2-yl]pyrrole-3-carboxamide is sourced from PubChem (CID 7230230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).