1-[2-(4-chlorophenyl)ethyl]-2-methyl-5-phenylpyrrole-3-carboxamide

C20H19ClN2O — CID 3351123

IUPAC1-[2-(4-chlorophenyl)ethyl]-2-methyl-5-phenylpyrrole-3-carboxamide
SMILESCc1c(C(N)=O)cc(-c2ccccc2)n1CCc1ccc(Cl)cc1
InChIInChI=1S/C20H19ClN2O/c1-14-18(20(22)24)13-19(16-5-3-2-4-6-16)23(14)12-11-15-7-9-17(21)10-8-15/h2-10,13H,11-12H2,1H3,(H2,22,24)
InChIKeyMRESTIGJUZKUIJ-UHFFFAOYSA-N
MW338.84 g/mol
LogP4.46
Rot. Bonds5

About 1-[2-(4-chlorophenyl)ethyl]-2-methyl-5-phenylpyrrole-3-carboxamide

1-[2-(4-chlorophenyl)ethyl]-2-methyl-5-phenylpyrrole-3-carboxamide (PubChem CID 3351123) has the molecular formula C20H19ClN2O and a molecular weight of 338.84 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)ethyl]-2-methyl-5-phenylpyrrole-3-carboxamide.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)ethyl]-2-methyl-5-phenylpyrrole-3-carboxamide
PubChem CID3351123
Molecular FormulaC20H19ClN2O
Molecular Weight338.84 g/mol
Exact Mass338.12
IUPAC Name1-[2-(4-chlorophenyl)ethyl]-2-methyl-5-phenylpyrrole-3-carboxamide
SMILESCc1c(C(N)=O)cc(-c2ccccc2)n1CCc1ccc(Cl)cc1
InChIInChI=1S/C20H19ClN2O/c1-14-18(20(22)24)13-19(16-5-3-2-4-6-16)23(14)12-11-15-7-9-17(21)10-8-15/h2-10,13H,11-12H2,1H3,(H2,22,24)
InChIKeyMRESTIGJUZKUIJ-UHFFFAOYSA-N
XLogP4.46
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-[2-(4-methylphenyl)ethyl]-5-(4-phenylphenyl)pyrrole-3-carboxamide
CID 3860213
1-[2-(4-chlorophenyl)ethyl]-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpyrrole-3-carboxamide
CID 3853408
1-[2-(4-chlorophenyl)ethyl]-5-(2,5-dimethoxyphenyl)-2-methylpyrrole-3-carboxamide
CID 3825508
1-[2-(3-chlorophenyl)ethyl]-2-methyl-5-[4-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
CID 3710804
2-methyl-1-[2-(4-methylphenyl)ethyl]-5-(2-phenyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide
CID 134081995
1-[2-(3-chlorophenyl)ethyl]-5-(4-cyanophenyl)-2-methylpyrrole-3-carboxamide
CID 3811310
1-[2-(3-chlorophenyl)ethyl]-5-[4-(diethylamino)phenyl]-2-methylpyrrole-3-carboxamide
CID 3807697
5-(2-chlorophenyl)-2-methyl-1-(3-phenylpropyl)pyrrole-3-carboxamide
CID 3284921
1-[2-(4-methoxyphenyl)ethyl]-2-methyl-5-(2-phenyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide
CID 134081993
5-(3-methoxyphenyl)-1-[2-(3-methoxyphenyl)ethyl]-2-methylpyrrole-3-carboxamide
CID 3827290
1-[2-(2,5-dimethoxyphenyl)ethyl]-2-methyl-5-phenylpyrrole-3-carboxamide
CID 3862274
1-[2-(2-chlorophenyl)ethyl]-5-(4-cyanophenyl)-2-methylpyrrole-3-carboxamide
CID 3811307

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-2-methyl-5-phenylpyrrole-3-carboxamide?
The IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-2-methyl-5-phenylpyrrole-3-carboxamide (CID 3351123) is 1-[2-(4-chlorophenyl)ethyl]-2-methyl-5-phenylpyrrole-3-carboxamide.
What is the SMILES notation for 1-[2-(4-chlorophenyl)ethyl]-2-methyl-5-phenylpyrrole-3-carboxamide?
The canonical SMILES for 1-[2-(4-chlorophenyl)ethyl]-2-methyl-5-phenylpyrrole-3-carboxamide is Cc1c(C(N)=O)cc(-c2ccccc2)n1CCc1ccc(Cl)cc1.
What is the InChIKey of 1-[2-(4-chlorophenyl)ethyl]-2-methyl-5-phenylpyrrole-3-carboxamide?
The InChIKey is MRESTIGJUZKUIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O/c1-14-18(20(22)24)13-19(16-5-3-2-4-6-16)23(14)12-11-15-7-9-17(21)10-8-15/h2-10,13H,11-12H2,1H3,(H2,22,24).
What are the key properties of 1-[2-(4-chlorophenyl)ethyl]-2-methyl-5-phenylpyrrole-3-carboxamide?
1-[2-(4-chlorophenyl)ethyl]-2-methyl-5-phenylpyrrole-3-carboxamide has a molecular weight of 338.84 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)ethyl]-2-methyl-5-phenylpyrrole-3-carboxamide is sourced from PubChem (CID 3351123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).