1-[2-(2-chlorophenyl)ethyl]-5-(4-cyanophenyl)-2-methylpyrrole-3-carboxamide

C21H18ClN3O — CID 3811307

IUPAC1-[2-(2-chlorophenyl)ethyl]-5-(4-cyanophenyl)-2-methylpyrrole-3-carboxamide
SMILESCc1c(C(N)=O)cc(-c2ccc(C#N)cc2)n1CCc1ccccc1Cl
InChIInChI=1S/C21H18ClN3O/c1-14-18(21(24)26)12-20(17-8-6-15(13-23)7-9-17)25(14)11-10-16-4-2-3-5-19(16)22/h2-9,12H,10-11H2,1H3,(H2,24,26)
InChIKeyVUHLWVLAFIGFDP-UHFFFAOYSA-N
MW363.85 g/mol
LogP4.33
Rot. Bonds5

About 1-[2-(2-chlorophenyl)ethyl]-5-(4-cyanophenyl)-2-methylpyrrole-3-carboxamide

1-[2-(2-chlorophenyl)ethyl]-5-(4-cyanophenyl)-2-methylpyrrole-3-carboxamide (PubChem CID 3811307) has the molecular formula C21H18ClN3O and a molecular weight of 363.85 g/mol. Its IUPAC name is 1-[2-(2-chlorophenyl)ethyl]-5-(4-cyanophenyl)-2-methylpyrrole-3-carboxamide.

Molecular Properties

Compound Name1-[2-(2-chlorophenyl)ethyl]-5-(4-cyanophenyl)-2-methylpyrrole-3-carboxamide
PubChem CID3811307
Molecular FormulaC21H18ClN3O
Molecular Weight363.85 g/mol
Exact Mass363.11
IUPAC Name1-[2-(2-chlorophenyl)ethyl]-5-(4-cyanophenyl)-2-methylpyrrole-3-carboxamide
SMILESCc1c(C(N)=O)cc(-c2ccc(C#N)cc2)n1CCc1ccccc1Cl
InChIInChI=1S/C21H18ClN3O/c1-14-18(21(24)26)12-20(17-8-6-15(13-23)7-9-17)25(14)11-10-16-4-2-3-5-19(16)22/h2-9,12H,10-11H2,1H3,(H2,24,26)
InChIKeyVUHLWVLAFIGFDP-UHFFFAOYSA-N
XLogP4.33
TPSA71.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.85
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-chlorophenyl)ethyl]-5-(4-cyanophenyl)-2-methylpyrrole-3-carboxamide
CID 3811310
1-benzyl-5-(4-cyanophenyl)-2-methylpyrrole-3-carboxamide
CID 3808840
5-(4-cyanophenyl)-1-(cyclohexylmethyl)-2-methylpyrrole-3-carboxamide
CID 3744019
1-[2-(4-chlorophenyl)ethyl]-2-methyl-5-phenylpyrrole-3-carboxamide
CID 3351123
2-methyl-1-[2-(4-methylphenyl)ethyl]-5-(4-phenylphenyl)pyrrole-3-carboxamide
CID 3860213
5-(4-cyanophenyl)-2-methyl-1-pentan-3-ylpyrrole-3-carboxamide
CID 3811281
5-(4-cyanophenyl)-1-cyclopropyl-2-methylpyrrole-3-carboxamide
CID 3808898
5-(2-chlorophenyl)-2-methyl-1-propylpyrrole-3-carboxamide
CID 3854716
1-[2-(2,5-dimethoxyphenyl)ethyl]-2-methyl-5-phenylpyrrole-3-carboxamide
CID 3862274
5-(2-chlorophenyl)-2-methyl-1-(3-phenylpropyl)pyrrole-3-carboxamide
CID 3284921
1-[2-(3-chlorophenyl)ethyl]-2-methyl-5-[4-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
CID 3710804
5-(3-cyanophenyl)-2-methyl-1-(4-phenylbutan-2-yl)pyrrole-3-carboxamide
CID 3807484

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenyl)ethyl]-5-(4-cyanophenyl)-2-methylpyrrole-3-carboxamide?
The IUPAC name of 1-[2-(2-chlorophenyl)ethyl]-5-(4-cyanophenyl)-2-methylpyrrole-3-carboxamide (CID 3811307) is 1-[2-(2-chlorophenyl)ethyl]-5-(4-cyanophenyl)-2-methylpyrrole-3-carboxamide.
What is the SMILES notation for 1-[2-(2-chlorophenyl)ethyl]-5-(4-cyanophenyl)-2-methylpyrrole-3-carboxamide?
The canonical SMILES for 1-[2-(2-chlorophenyl)ethyl]-5-(4-cyanophenyl)-2-methylpyrrole-3-carboxamide is Cc1c(C(N)=O)cc(-c2ccc(C#N)cc2)n1CCc1ccccc1Cl.
What is the InChIKey of 1-[2-(2-chlorophenyl)ethyl]-5-(4-cyanophenyl)-2-methylpyrrole-3-carboxamide?
The InChIKey is VUHLWVLAFIGFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O/c1-14-18(21(24)26)12-20(17-8-6-15(13-23)7-9-17)25(14)11-10-16-4-2-3-5-19(16)22/h2-9,12H,10-11H2,1H3,(H2,24,26).
What are the key properties of 1-[2-(2-chlorophenyl)ethyl]-5-(4-cyanophenyl)-2-methylpyrrole-3-carboxamide?
1-[2-(2-chlorophenyl)ethyl]-5-(4-cyanophenyl)-2-methylpyrrole-3-carboxamide has a molecular weight of 363.85 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenyl)ethyl]-5-(4-cyanophenyl)-2-methylpyrrole-3-carboxamide is sourced from PubChem (CID 3811307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).