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

C21H21ClN2O — CID 3416100

IUPAC1-[2-(3-chlorophenyl)ethyl]-2,4-dimethyl-5-phenylpyrrole-3-carboxamide
SMILESCc1c(C(N)=O)c(C)n(CCc2cccc(Cl)c2)c1-c1ccccc1
InChIInChI=1S/C21H21ClN2O/c1-14-19(21(23)25)15(2)24(20(14)17-8-4-3-5-9-17)12-11-16-7-6-10-18(22)13-16/h3-10,13H,11-12H2,1-2H3,(H2,23,25)
InChIKeyKBCVCYFZKYOVFU-UHFFFAOYSA-N
MW352.87 g/mol
LogP4.77
Rot. Bonds5

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

1-[2-(3-chlorophenyl)ethyl]-2,4-dimethyl-5-phenylpyrrole-3-carboxamide (PubChem CID 3416100) has the molecular formula C21H21ClN2O and a molecular weight of 352.87 g/mol. Its IUPAC name is 1-[2-(3-chlorophenyl)ethyl]-2,4-dimethyl-5-phenylpyrrole-3-carboxamide.

Molecular Properties

Compound Name1-[2-(3-chlorophenyl)ethyl]-2,4-dimethyl-5-phenylpyrrole-3-carboxamide
PubChem CID3416100
Molecular FormulaC21H21ClN2O
Molecular Weight352.87 g/mol
Exact Mass352.13
IUPAC Name1-[2-(3-chlorophenyl)ethyl]-2,4-dimethyl-5-phenylpyrrole-3-carboxamide
SMILESCc1c(C(N)=O)c(C)n(CCc2cccc(Cl)c2)c1-c1ccccc1
InChIInChI=1S/C21H21ClN2O/c1-14-19(21(23)25)15(2)24(20(14)17-8-4-3-5-9-17)12-11-16-7-6-10-18(22)13-16/h3-10,13H,11-12H2,1-2H3,(H2,23,25)
InChIKeyKBCVCYFZKYOVFU-UHFFFAOYSA-N
XLogP4.77
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.87
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(3-fluorophenyl)ethyl]-2-methyl-4,5-diphenylpyrrole-3-carboxamide
CID 3814503
1-[(4-chlorophenyl)methyl]-2-methyl-4,5-diphenylpyrrole-3-carboxamide
CID 3491442
1-[2-(3-chlorophenyl)ethyl]-2-methyl-5-[4-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
CID 3710804
1-[2-(3-chlorophenyl)ethyl]-5-(4-cyanophenyl)-2-methylpyrrole-3-carboxamide
CID 3811310
1-[2-(4-chlorophenyl)ethyl]-2-methyl-5-phenylpyrrole-3-carboxamide
CID 3351123
1-[2-(3-chlorophenyl)ethyl]-5-[4-(diethylamino)phenyl]-2-methylpyrrole-3-carboxamide
CID 3807697
1-[(3-chlorophenyl)methyl]-4-(3-hydroxyphenyl)-2-methyl-5-propylpyrrole-3-carboxamide
CID 3702538
6-chloro-1-[(3-chlorophenyl)methyl]-5-hydroxy-2-methylindole-3-carboxamide
CID 3790292
5-(5-chloro-3-methyl-1-benzothiophen-2-yl)-1-[2-(3-chlorophenyl)ethyl]-2-methylpyrrole-3-carboxamide
CID 3790207
1-[(3-chlorophenyl)methyl]-2,5-dimethyl-4-quinolin-2-ylpyrrole-3-carboxamide
CID 3855914
1-[2-(2-methoxyphenyl)ethyl]-2-methyl-4,5-diphenylpyrrole-3-carboxamide
CID 3491439
2-methyl-5-pentyl-4-phenyl-1-(2-phenylethyl)pyrrole-3-carboxamide
CID 3815467

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorophenyl)ethyl]-2,4-dimethyl-5-phenylpyrrole-3-carboxamide?
The IUPAC name of 1-[2-(3-chlorophenyl)ethyl]-2,4-dimethyl-5-phenylpyrrole-3-carboxamide (CID 3416100) is 1-[2-(3-chlorophenyl)ethyl]-2,4-dimethyl-5-phenylpyrrole-3-carboxamide.
What is the SMILES notation for 1-[2-(3-chlorophenyl)ethyl]-2,4-dimethyl-5-phenylpyrrole-3-carboxamide?
The canonical SMILES for 1-[2-(3-chlorophenyl)ethyl]-2,4-dimethyl-5-phenylpyrrole-3-carboxamide is Cc1c(C(N)=O)c(C)n(CCc2cccc(Cl)c2)c1-c1ccccc1.
What is the InChIKey of 1-[2-(3-chlorophenyl)ethyl]-2,4-dimethyl-5-phenylpyrrole-3-carboxamide?
The InChIKey is KBCVCYFZKYOVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O/c1-14-19(21(23)25)15(2)24(20(14)17-8-4-3-5-9-17)12-11-16-7-6-10-18(22)13-16/h3-10,13H,11-12H2,1-2H3,(H2,23,25).
What are the key properties of 1-[2-(3-chlorophenyl)ethyl]-2,4-dimethyl-5-phenylpyrrole-3-carboxamide?
1-[2-(3-chlorophenyl)ethyl]-2,4-dimethyl-5-phenylpyrrole-3-carboxamide has a molecular weight of 352.87 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chlorophenyl)ethyl]-2,4-dimethyl-5-phenylpyrrole-3-carboxamide is sourced from PubChem (CID 3416100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).