1-(2-chlorophenyl)-2-methyl-N-(3-methylbutyl)-5-phenylpyrrole-3-carboxamide

C23H25ClN2O — CID 7288841

IUPAC1-(2-chlorophenyl)-2-methyl-N-(3-methylbutyl)-5-phenylpyrrole-3-carboxamide
SMILESCc1c(C(=O)NCCC(C)C)cc(-c2ccccc2)n1-c1ccccc1Cl
InChIInChI=1S/C23H25ClN2O/c1-16(2)13-14-25-23(27)19-15-22(18-9-5-4-6-10-18)26(17(19)3)21-12-8-7-11-20(21)24/h4-12,15-16H,13-14H2,1-3H3,(H,25,27)
InChIKeyGDYFZJDYDMKAAY-UHFFFAOYSA-N
MW380.92 g/mol
LogP5.88
Rot. Bonds6

About 1-(2-chlorophenyl)-2-methyl-N-(3-methylbutyl)-5-phenylpyrrole-3-carboxamide

1-(2-chlorophenyl)-2-methyl-N-(3-methylbutyl)-5-phenylpyrrole-3-carboxamide (PubChem CID 7288841) has the molecular formula C23H25ClN2O and a molecular weight of 380.92 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2-methyl-N-(3-methylbutyl)-5-phenylpyrrole-3-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2-methyl-N-(3-methylbutyl)-5-phenylpyrrole-3-carboxamide
PubChem CID7288841
Molecular FormulaC23H25ClN2O
Molecular Weight380.92 g/mol
Exact Mass380.17
IUPAC Name1-(2-chlorophenyl)-2-methyl-N-(3-methylbutyl)-5-phenylpyrrole-3-carboxamide
SMILESCc1c(C(=O)NCCC(C)C)cc(-c2ccccc2)n1-c1ccccc1Cl
InChIInChI=1S/C23H25ClN2O/c1-16(2)13-14-25-23(27)19-15-22(18-9-5-4-6-10-18)26(17(19)3)21-12-8-7-11-20(21)24/h4-12,15-16H,13-14H2,1-3H3,(H,25,27)
InChIKeyGDYFZJDYDMKAAY-UHFFFAOYSA-N
XLogP5.88
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.92
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-1-(2-chlorophenyl)-2-methyl-5-phenylpyrrole-3-carboxamide
CID 7213171
1-(2-methoxyphenyl)-2-methyl-N-(3-methylbutyl)-5-phenylpyrrole-3-carboxamide
CID 7230876
N-(3,3-diphenylpropyl)-1-(2-methoxyphenyl)-2-methyl-5-phenylpyrrole-3-carboxamide
CID 4579764
1-(2-chlorophenyl)-5-(4-methoxyphenyl)-N-(3-methoxypropyl)-2-methylpyrrole-3-carboxamide
CID 7306923
N-butyl-1-(2-fluorophenyl)-2-methyl-5-phenylpyrrole-3-carboxamide
CID 7230351
2-chloro-N-(3-methylbutyl)benzamide
CID 669760
1-(2-chlorophenyl)-N-(3-methylbutyl)-3-phenylpyrazole-5-carboxamide
CID 3565109
1-(2-chlorophenyl)-5-(4-methoxyphenyl)-2-methyl-N-[(2S)-3-methylbutan-2-yl]pyrrole-3-carboxamide
CID 7230230
5-(4-chlorophenyl)-2-methyl-1-phenyl-N-propylpyrrole-3-carboxamide
CID 7307046
1-(4-fluorophenyl)-2-methyl-5-phenyl-N-propylpyrrole-3-carboxamide
CID 7212800
5-(4-chlorophenyl)-1-(2-methoxyphenyl)-2-methyl-N-(2-pyrrolidin-1-ylethyl)pyrrole-3-carboxamide
CID 46126596
N-benzyl-2-methyl-1,5-diphenylpyrrole-3-carboxamide
CID 42665700

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2-methyl-N-(3-methylbutyl)-5-phenylpyrrole-3-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-2-methyl-N-(3-methylbutyl)-5-phenylpyrrole-3-carboxamide (CID 7288841) is 1-(2-chlorophenyl)-2-methyl-N-(3-methylbutyl)-5-phenylpyrrole-3-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-2-methyl-N-(3-methylbutyl)-5-phenylpyrrole-3-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-2-methyl-N-(3-methylbutyl)-5-phenylpyrrole-3-carboxamide is Cc1c(C(=O)NCCC(C)C)cc(-c2ccccc2)n1-c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-2-methyl-N-(3-methylbutyl)-5-phenylpyrrole-3-carboxamide?
The InChIKey is GDYFZJDYDMKAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN2O/c1-16(2)13-14-25-23(27)19-15-22(18-9-5-4-6-10-18)26(17(19)3)21-12-8-7-11-20(21)24/h4-12,15-16H,13-14H2,1-3H3,(H,25,27).
What are the key properties of 1-(2-chlorophenyl)-2-methyl-N-(3-methylbutyl)-5-phenylpyrrole-3-carboxamide?
1-(2-chlorophenyl)-2-methyl-N-(3-methylbutyl)-5-phenylpyrrole-3-carboxamide has a molecular weight of 380.92 g/mol, XLogP of 5.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-2-methyl-N-(3-methylbutyl)-5-phenylpyrrole-3-carboxamide is sourced from PubChem (CID 7288841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).