1-[(3-chlorophenyl)methyl]-2-methyl-5-naphthalen-2-ylpyrrole-3-carboxamide

C23H19ClN2O — CID 5168469

IUPAC1-[(3-chlorophenyl)methyl]-2-methyl-5-naphthalen-2-ylpyrrole-3-carboxamide
SMILESCc1c(C(N)=O)cc(-c2ccc3ccccc3c2)n1Cc1cccc(Cl)c1
InChIInChI=1S/C23H19ClN2O/c1-15-21(23(25)27)13-22(26(15)14-16-5-4-8-20(24)11-16)19-10-9-17-6-2-3-7-18(17)12-19/h2-13H,14H2,1H3,(H2,25,27)
InChIKeyKJDXIKLYLJHOGF-UHFFFAOYSA-N
MW374.87 g/mol
LogP5.42
Rot. Bonds4

About 1-[(3-chlorophenyl)methyl]-2-methyl-5-naphthalen-2-ylpyrrole-3-carboxamide

1-[(3-chlorophenyl)methyl]-2-methyl-5-naphthalen-2-ylpyrrole-3-carboxamide (PubChem CID 5168469) has the molecular formula C23H19ClN2O and a molecular weight of 374.87 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-2-methyl-5-naphthalen-2-ylpyrrole-3-carboxamide.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-2-methyl-5-naphthalen-2-ylpyrrole-3-carboxamide
PubChem CID5168469
Molecular FormulaC23H19ClN2O
Molecular Weight374.87 g/mol
Exact Mass374.12
IUPAC Name1-[(3-chlorophenyl)methyl]-2-methyl-5-naphthalen-2-ylpyrrole-3-carboxamide
SMILESCc1c(C(N)=O)cc(-c2ccc3ccccc3c2)n1Cc1cccc(Cl)c1
InChIInChI=1S/C23H19ClN2O/c1-15-21(23(25)27)13-22(26(15)14-16-5-4-8-20(24)11-16)19-10-9-17-6-2-3-7-18(17)12-19/h2-13H,14H2,1H3,(H2,25,27)
InChIKeyKJDXIKLYLJHOGF-UHFFFAOYSA-N
XLogP5.42
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.87
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-[(3-methylphenyl)methyl]-5-naphthalen-2-ylpyrrole-3-carboxamide
CID 5168466
1-benzyl-5-(4-cyanophenyl)-2-methylpyrrole-3-carboxamide
CID 3808840
1-[(2,3-dimethoxyphenyl)methyl]-2-methyl-5-naphthalen-2-ylpyrrole-3-carboxamide
CID 5168471
1-[2-(3-chlorophenyl)ethyl]-5-(4-cyanophenyl)-2-methylpyrrole-3-carboxamide
CID 3811310
1-[2-(3-chlorophenyl)ethyl]-2-methyl-5-[4-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
CID 3710804
1-[(4-methoxyphenyl)methyl]-2-methyl-5-(4-methylphenyl)pyrrole-3-carboxamide
CID 3863509
1-[2-(3-chlorophenyl)ethyl]-5-[4-(diethylamino)phenyl]-2-methylpyrrole-3-carboxamide
CID 3807697
2-methyl-1-[(3-methylphenyl)methyl]-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyrrole-3-carboxamide
CID 3851003
1-benzyl-2,5-dimethylpyrrole-3-carboxamide
CID 47108355
1-[2-(4-chlorophenyl)ethyl]-2-methyl-5-phenylpyrrole-3-carboxamide
CID 3351123
1-[(3-chlorophenyl)methyl]-2,5-dimethyl-4-quinolin-2-ylpyrrole-3-carboxamide
CID 3855914
5-(3-cyanophenyl)-1-[(3,4-dimethoxyphenyl)methyl]-2-methylpyrrole-3-carboxamide
CID 3828786

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-2-methyl-5-naphthalen-2-ylpyrrole-3-carboxamide?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-2-methyl-5-naphthalen-2-ylpyrrole-3-carboxamide (CID 5168469) is 1-[(3-chlorophenyl)methyl]-2-methyl-5-naphthalen-2-ylpyrrole-3-carboxamide.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-2-methyl-5-naphthalen-2-ylpyrrole-3-carboxamide?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-2-methyl-5-naphthalen-2-ylpyrrole-3-carboxamide is Cc1c(C(N)=O)cc(-c2ccc3ccccc3c2)n1Cc1cccc(Cl)c1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-2-methyl-5-naphthalen-2-ylpyrrole-3-carboxamide?
The InChIKey is KJDXIKLYLJHOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O/c1-15-21(23(25)27)13-22(26(15)14-16-5-4-8-20(24)11-16)19-10-9-17-6-2-3-7-18(17)12-19/h2-13H,14H2,1H3,(H2,25,27).
What are the key properties of 1-[(3-chlorophenyl)methyl]-2-methyl-5-naphthalen-2-ylpyrrole-3-carboxamide?
1-[(3-chlorophenyl)methyl]-2-methyl-5-naphthalen-2-ylpyrrole-3-carboxamide has a molecular weight of 374.87 g/mol, XLogP of 5.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-2-methyl-5-naphthalen-2-ylpyrrole-3-carboxamide is sourced from PubChem (CID 5168469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).