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

C22H23ClN2O — CID 7213171

IUPACN-butyl-1-(2-chlorophenyl)-2-methyl-5-phenylpyrrole-3-carboxamide
SMILESCCCCNC(=O)c1cc(-c2ccccc2)n(-c2ccccc2Cl)c1C
InChIInChI=1S/C22H23ClN2O/c1-3-4-14-24-22(26)18-15-21(17-10-6-5-7-11-17)25(16(18)2)20-13-9-8-12-19(20)23/h5-13,15H,3-4,14H2,1-2H3,(H,24,26)
InChIKeyDXGNQNMQWOXPIS-UHFFFAOYSA-N
MW366.89 g/mol
LogP5.64
Rot. Bonds6

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

N-butyl-1-(2-chlorophenyl)-2-methyl-5-phenylpyrrole-3-carboxamide (PubChem CID 7213171) has the molecular formula C22H23ClN2O and a molecular weight of 366.89 g/mol. Its IUPAC name is N-butyl-1-(2-chlorophenyl)-2-methyl-5-phenylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-butyl-1-(2-chlorophenyl)-2-methyl-5-phenylpyrrole-3-carboxamide
PubChem CID7213171
Molecular FormulaC22H23ClN2O
Molecular Weight366.89 g/mol
Exact Mass366.15
IUPAC NameN-butyl-1-(2-chlorophenyl)-2-methyl-5-phenylpyrrole-3-carboxamide
SMILESCCCCNC(=O)c1cc(-c2ccccc2)n(-c2ccccc2Cl)c1C
InChIInChI=1S/C22H23ClN2O/c1-3-4-14-24-22(26)18-15-21(17-10-6-5-7-11-17)25(16(18)2)20-13-9-8-12-19(20)23/h5-13,15H,3-4,14H2,1-2H3,(H,24,26)
InChIKeyDXGNQNMQWOXPIS-UHFFFAOYSA-N
XLogP5.64
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.89
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-1-(2-fluorophenyl)-2-methyl-5-phenylpyrrole-3-carboxamide
CID 7230351
1-(2-chlorophenyl)-2-methyl-N-(3-methylbutyl)-5-phenylpyrrole-3-carboxamide
CID 7288841
1-(2-chlorophenyl)-5-(4-methoxyphenyl)-N-(3-methoxypropyl)-2-methylpyrrole-3-carboxamide
CID 7306923
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
N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-1-(4-fluorophenyl)-2-methyl-5-phenylpyrrole-3-carboxamide
CID 45278886
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)-2-methyl-N-[(2S)-3-methylbutan-2-yl]pyrrole-3-carboxamide
CID 7230230
1-(2-chlorophenyl)-N,N-diethyl-5-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide
CID 7212658
1-(3-methoxyphenyl)-N-(3-methoxypropyl)-2-methyl-5-phenylpyrrole-3-carboxamide
CID 42785432
5-(4-chlorophenyl)-1-(2-methoxyphenyl)-2-methyl-N-(2-pyrrolidin-1-ylethyl)pyrrole-3-carboxamide
CID 46126596

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-(2-chlorophenyl)-2-methyl-5-phenylpyrrole-3-carboxamide?
The IUPAC name of N-butyl-1-(2-chlorophenyl)-2-methyl-5-phenylpyrrole-3-carboxamide (CID 7213171) is N-butyl-1-(2-chlorophenyl)-2-methyl-5-phenylpyrrole-3-carboxamide.
What is the SMILES notation for N-butyl-1-(2-chlorophenyl)-2-methyl-5-phenylpyrrole-3-carboxamide?
The canonical SMILES for N-butyl-1-(2-chlorophenyl)-2-methyl-5-phenylpyrrole-3-carboxamide is CCCCNC(=O)c1cc(-c2ccccc2)n(-c2ccccc2Cl)c1C.
What is the InChIKey of N-butyl-1-(2-chlorophenyl)-2-methyl-5-phenylpyrrole-3-carboxamide?
The InChIKey is DXGNQNMQWOXPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O/c1-3-4-14-24-22(26)18-15-21(17-10-6-5-7-11-17)25(16(18)2)20-13-9-8-12-19(20)23/h5-13,15H,3-4,14H2,1-2H3,(H,24,26).
What are the key properties of N-butyl-1-(2-chlorophenyl)-2-methyl-5-phenylpyrrole-3-carboxamide?
N-butyl-1-(2-chlorophenyl)-2-methyl-5-phenylpyrrole-3-carboxamide has a molecular weight of 366.89 g/mol, XLogP of 5.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-(2-chlorophenyl)-2-methyl-5-phenylpyrrole-3-carboxamide is sourced from PubChem (CID 7213171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).