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

C21H18ClN3O — CID 3811310

IUPAC1-[2-(3-chlorophenyl)ethyl]-5-(4-cyanophenyl)-2-methylpyrrole-3-carboxamide
SMILESCc1c(C(N)=O)cc(-c2ccc(C#N)cc2)n1CCc1cccc(Cl)c1
InChIInChI=1S/C21H18ClN3O/c1-14-19(21(24)26)12-20(17-7-5-16(13-23)6-8-17)25(14)10-9-15-3-2-4-18(22)11-15/h2-8,11-12H,9-10H2,1H3,(H2,24,26)
InChIKeyOXFGSTQFPYTVRH-UHFFFAOYSA-N
MW363.85 g/mol
LogP4.33
Rot. Bonds5

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

1-[2-(3-chlorophenyl)ethyl]-5-(4-cyanophenyl)-2-methylpyrrole-3-carboxamide (PubChem CID 3811310) has the molecular formula C21H18ClN3O and a molecular weight of 363.85 g/mol. Its IUPAC name is 1-[2-(3-chlorophenyl)ethyl]-5-(4-cyanophenyl)-2-methylpyrrole-3-carboxamide.

Molecular Properties

Compound Name1-[2-(3-chlorophenyl)ethyl]-5-(4-cyanophenyl)-2-methylpyrrole-3-carboxamide
PubChem CID3811310
Molecular FormulaC21H18ClN3O
Molecular Weight363.85 g/mol
Exact Mass363.11
IUPAC Name1-[2-(3-chlorophenyl)ethyl]-5-(4-cyanophenyl)-2-methylpyrrole-3-carboxamide
SMILESCc1c(C(N)=O)cc(-c2ccc(C#N)cc2)n1CCc1cccc(Cl)c1
InChIInChI=1S/C21H18ClN3O/c1-14-19(21(24)26)12-20(17-7-5-16(13-23)6-8-17)25(14)10-9-15-3-2-4-18(22)11-15/h2-8,11-12H,9-10H2,1H3,(H2,24,26)
InChIKeyOXFGSTQFPYTVRH-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]-2-methyl-5-[4-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
CID 3710804
1-[2-(2-chlorophenyl)ethyl]-5-(4-cyanophenyl)-2-methylpyrrole-3-carboxamide
CID 3811307
1-[2-(3-chlorophenyl)ethyl]-5-[4-(diethylamino)phenyl]-2-methylpyrrole-3-carboxamide
CID 3807697
1-benzyl-5-(4-cyanophenyl)-2-methylpyrrole-3-carboxamide
CID 3808840
1-[2-(4-chlorophenyl)ethyl]-2-methyl-5-phenylpyrrole-3-carboxamide
CID 3351123
1-[(3-chlorophenyl)methyl]-2-methyl-5-naphthalen-2-ylpyrrole-3-carboxamide
CID 5168469
5-(5-chloro-3-methyl-1-benzothiophen-2-yl)-1-[2-(3-chlorophenyl)ethyl]-2-methylpyrrole-3-carboxamide
CID 3790207
5-(3-methoxyphenyl)-1-[2-(3-methoxyphenyl)ethyl]-2-methylpyrrole-3-carboxamide
CID 3827290
2-methyl-1-[2-(4-methylphenyl)ethyl]-5-(4-phenylphenyl)pyrrole-3-carboxamide
CID 3860213
5-(4-cyanophenyl)-1-(cyclohexylmethyl)-2-methylpyrrole-3-carboxamide
CID 3744019
5-(4-cyanophenyl)-2-methyl-1-pentan-3-ylpyrrole-3-carboxamide
CID 3811281
5-(3-cyanophenyl)-1-[(3,4-dimethoxyphenyl)methyl]-2-methylpyrrole-3-carboxamide
CID 3828786

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorophenyl)ethyl]-5-(4-cyanophenyl)-2-methylpyrrole-3-carboxamide?
The IUPAC name of 1-[2-(3-chlorophenyl)ethyl]-5-(4-cyanophenyl)-2-methylpyrrole-3-carboxamide (CID 3811310) is 1-[2-(3-chlorophenyl)ethyl]-5-(4-cyanophenyl)-2-methylpyrrole-3-carboxamide.
What is the SMILES notation for 1-[2-(3-chlorophenyl)ethyl]-5-(4-cyanophenyl)-2-methylpyrrole-3-carboxamide?
The canonical SMILES for 1-[2-(3-chlorophenyl)ethyl]-5-(4-cyanophenyl)-2-methylpyrrole-3-carboxamide is Cc1c(C(N)=O)cc(-c2ccc(C#N)cc2)n1CCc1cccc(Cl)c1.
What is the InChIKey of 1-[2-(3-chlorophenyl)ethyl]-5-(4-cyanophenyl)-2-methylpyrrole-3-carboxamide?
The InChIKey is OXFGSTQFPYTVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O/c1-14-19(21(24)26)12-20(17-7-5-16(13-23)6-8-17)25(14)10-9-15-3-2-4-18(22)11-15/h2-8,11-12H,9-10H2,1H3,(H2,24,26).
What are the key properties of 1-[2-(3-chlorophenyl)ethyl]-5-(4-cyanophenyl)-2-methylpyrrole-3-carboxamide?
1-[2-(3-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-(3-chlorophenyl)ethyl]-5-(4-cyanophenyl)-2-methylpyrrole-3-carboxamide is sourced from PubChem (CID 3811310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).