5-(2-chlorophenyl)-2-methyl-1-(3-phenylpropyl)pyrrole-3-carboxamide

C21H21ClN2O — CID 3284921

IUPAC5-(2-chlorophenyl)-2-methyl-1-(3-phenylpropyl)pyrrole-3-carboxamide
SMILESCc1c(C(N)=O)cc(-c2ccccc2Cl)n1CCCc1ccccc1
InChIInChI=1S/C21H21ClN2O/c1-15-18(21(23)25)14-20(17-11-5-6-12-19(17)22)24(15)13-7-10-16-8-3-2-4-9-16/h2-6,8-9,11-12,14H,7,10,13H2,1H3,(H2,23,25)
InChIKeyXKHKPVZCZWZPES-UHFFFAOYSA-N
MW352.87 g/mol
LogP4.85
Rot. Bonds6

About 5-(2-chlorophenyl)-2-methyl-1-(3-phenylpropyl)pyrrole-3-carboxamide

5-(2-chlorophenyl)-2-methyl-1-(3-phenylpropyl)pyrrole-3-carboxamide (PubChem CID 3284921) has the molecular formula C21H21ClN2O and a molecular weight of 352.87 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-2-methyl-1-(3-phenylpropyl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-(2-chlorophenyl)-2-methyl-1-(3-phenylpropyl)pyrrole-3-carboxamide
PubChem CID3284921
Molecular FormulaC21H21ClN2O
Molecular Weight352.87 g/mol
Exact Mass352.13
IUPAC Name5-(2-chlorophenyl)-2-methyl-1-(3-phenylpropyl)pyrrole-3-carboxamide
SMILESCc1c(C(N)=O)cc(-c2ccccc2Cl)n1CCCc1ccccc1
InChIInChI=1S/C21H21ClN2O/c1-15-18(21(23)25)14-20(17-11-5-6-12-19(17)22)24(15)13-7-10-16-8-3-2-4-9-16/h2-6,8-9,11-12,14H,7,10,13H2,1H3,(H2,23,25)
InChIKeyXKHKPVZCZWZPES-UHFFFAOYSA-N
XLogP4.85
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.87
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2-chlorophenyl)-2-methyl-1-propylpyrrole-3-carboxamide
CID 3854716
5-(2,5-dimethoxyphenyl)-2-methyl-1-(4-phenylbutyl)pyrrole-3-carboxamide
CID 3825507
1-[2-(4-chlorophenyl)ethyl]-2-methyl-5-phenylpyrrole-3-carboxamide
CID 3351123
1-benzyl-2,5-dimethylpyrrole-3-carboxamide
CID 47108355
2-methyl-1-[2-(4-methylphenyl)ethyl]-5-(4-phenylphenyl)pyrrole-3-carboxamide
CID 3860213
4-(2-chlorophenyl)-5-ethyl-2-methyl-1-(2-phenylethyl)pyrrole-3-carboxamide
CID 3373701
2-methyl-5-(2-methyl-1,3-thiazol-4-yl)-1-(2-phenylethyl)pyrrole-3-carboxamide
CID 3847884
2-chloro-1-[2,5-dimethyl-1-(3-phenylpropyl)pyrrol-3-yl]propan-1-one
CID 60906504
1-[2-(4-chlorophenyl)ethyl]-5-(2,5-dimethoxyphenyl)-2-methylpyrrole-3-carboxamide
CID 3825508
1-(3-ethoxypropyl)-2-methyl-5-(4-phenylphenyl)pyrrole-3-carboxamide
CID 3752316
1-benzyl-5-(4-cyanophenyl)-2-methylpyrrole-3-carboxamide
CID 3808840
5-(2-anilino-1,3-thiazol-4-yl)-2-methyl-1-(2-phenylethyl)pyrrole-3-carboxamide
CID 134082228

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-2-methyl-1-(3-phenylpropyl)pyrrole-3-carboxamide?
The IUPAC name of 5-(2-chlorophenyl)-2-methyl-1-(3-phenylpropyl)pyrrole-3-carboxamide (CID 3284921) is 5-(2-chlorophenyl)-2-methyl-1-(3-phenylpropyl)pyrrole-3-carboxamide.
What is the SMILES notation for 5-(2-chlorophenyl)-2-methyl-1-(3-phenylpropyl)pyrrole-3-carboxamide?
The canonical SMILES for 5-(2-chlorophenyl)-2-methyl-1-(3-phenylpropyl)pyrrole-3-carboxamide is Cc1c(C(N)=O)cc(-c2ccccc2Cl)n1CCCc1ccccc1.
What is the InChIKey of 5-(2-chlorophenyl)-2-methyl-1-(3-phenylpropyl)pyrrole-3-carboxamide?
The InChIKey is XKHKPVZCZWZPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O/c1-15-18(21(23)25)14-20(17-11-5-6-12-19(17)22)24(15)13-7-10-16-8-3-2-4-9-16/h2-6,8-9,11-12,14H,7,10,13H2,1H3,(H2,23,25).
What are the key properties of 5-(2-chlorophenyl)-2-methyl-1-(3-phenylpropyl)pyrrole-3-carboxamide?
5-(2-chlorophenyl)-2-methyl-1-(3-phenylpropyl)pyrrole-3-carboxamide has a molecular weight of 352.87 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-2-methyl-1-(3-phenylpropyl)pyrrole-3-carboxamide is sourced from PubChem (CID 3284921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).