N-(4-chlorophenyl)-2,5-dimethyl-1-phenylpyrrole-3-carboxamide

C19H17ClN2O — CID 2742284

IUPACN-(4-chlorophenyl)-2,5-dimethyl-1-phenylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(Cl)cc2)c(C)n1-c1ccccc1
InChIInChI=1S/C19H17ClN2O/c1-13-12-18(14(2)22(13)17-6-4-3-5-7-17)19(23)21-16-10-8-15(20)9-11-16/h3-12H,1-2H3,(H,21,23)
InChIKeyGAWGTKRLBLJFBD-UHFFFAOYSA-N
MW324.81 g/mol
LogP5.00
Rot. Bonds3

About N-(4-chlorophenyl)-2,5-dimethyl-1-phenylpyrrole-3-carboxamide

N-(4-chlorophenyl)-2,5-dimethyl-1-phenylpyrrole-3-carboxamide (PubChem CID 2742284) has the molecular formula C19H17ClN2O and a molecular weight of 324.81 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2,5-dimethyl-1-phenylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2,5-dimethyl-1-phenylpyrrole-3-carboxamide
PubChem CID2742284
Molecular FormulaC19H17ClN2O
Molecular Weight324.81 g/mol
Exact Mass324.10
IUPAC NameN-(4-chlorophenyl)-2,5-dimethyl-1-phenylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(Cl)cc2)c(C)n1-c1ccccc1
InChIInChI=1S/C19H17ClN2O/c1-13-12-18(14(2)22(13)17-6-4-3-5-7-17)19(23)21-16-10-8-15(20)9-11-16/h3-12H,1-2H3,(H,21,23)
InChIKeyGAWGTKRLBLJFBD-UHFFFAOYSA-N
XLogP5.00
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Related Compounds

3-(2,5-dimethylpyrrol-1-yl)-N-phenylbenzamide
CID 947451
2,5-dimethyl-N-(2-phenylethyl)-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
CID 11710766
N-(3-(4-(3-chlorophenyl)piperazin-1-yl)propyl)-1,2-dimethyl-5-phenyl-1H-pyrrole-3-carboxamide
CID 45278720
N-(3-(4-(3-chlorophenyl)piperazin-1-yl)propyl)-1-ethyl-2-methyl-5-phenyl-1H-pyrrole-3-carboxamide
CID 45278722
N-(3-(4-(3-chlorophenyl)piperazin-1-yl)propyl)-2-methyl-5-phenyl-1-propyl-1H-pyrrole-3-carboxamide
CID 45278725
N-(3-(4-(3-chlorophenyl)piperazin-1-yl)propyl)-2-methyl-5-phenyl-1H-pyrrole-3-carboxamide
CID 45279044
N-(3-(4-(3-chlorophenyl)piperazin-1-yl)propyl)-1-isobutyl-2-methyl-5-phenyl-1H-pyrrole-3-carboxamide
CID 45279046
n-(2-(4-(3-Chloro-2-methylphenyl)piperazin-1-yl)ethyl)-1,2-dimethyl-5-phenyl-1h-pyrrole-3-carboxamide
CID 46927928
N-(3-(4-(2,4-Dichlorophenyl)piperazin-1-yl)propyl)-1,2-dimethyl-5-phenyl-1H-pyrrole-3-carboxamide
CID 49863654
N-[3-[4-(3,4-dichlorophenyl)piperazin-1-yl]propyl]-2-methyl-5-phenyl-1-propylpyrrole-3-carboxamide;hydrochloride
CID 49863740
N-(3-chloro-4-methylphenyl)-2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
CID 59807625
1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrole-3-carbaldehyde
CID 2785416

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2,5-dimethyl-1-phenylpyrrole-3-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-2,5-dimethyl-1-phenylpyrrole-3-carboxamide (CID 2742284) is N-(4-chlorophenyl)-2,5-dimethyl-1-phenylpyrrole-3-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-2,5-dimethyl-1-phenylpyrrole-3-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-2,5-dimethyl-1-phenylpyrrole-3-carboxamide is Cc1cc(C(=O)Nc2ccc(Cl)cc2)c(C)n1-c1ccccc1.
What is the InChIKey of N-(4-chlorophenyl)-2,5-dimethyl-1-phenylpyrrole-3-carboxamide?
The InChIKey is GAWGTKRLBLJFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O/c1-13-12-18(14(2)22(13)17-6-4-3-5-7-17)19(23)21-16-10-8-15(20)9-11-16/h3-12H,1-2H3,(H,21,23).
What are the key properties of N-(4-chlorophenyl)-2,5-dimethyl-1-phenylpyrrole-3-carboxamide?
N-(4-chlorophenyl)-2,5-dimethyl-1-phenylpyrrole-3-carboxamide has a molecular weight of 324.81 g/mol, XLogP of 5.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2,5-dimethyl-1-phenylpyrrole-3-carboxamide is sourced from PubChem (CID 2742284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).