4-(4-chlorophenyl)-1-[3-(dimethylamino)propyl]-2,5-dimethylpyrrole-3-carboxamide

C18H24ClN3O — CID 3874510

IUPAC4-(4-chlorophenyl)-1-[3-(dimethylamino)propyl]-2,5-dimethylpyrrole-3-carboxamide
SMILESCc1c(C(N)=O)c(-c2ccc(Cl)cc2)c(C)n1CCCN(C)C
InChIInChI=1S/C18H24ClN3O/c1-12-16(14-6-8-15(19)9-7-14)17(18(20)23)13(2)22(12)11-5-10-21(3)4/h6-9H,5,10-11H2,1-4H3,(H2,20,23)
InChIKeyXQIHZUVQZLEIGF-UHFFFAOYSA-N
MW333.86 g/mol
LogP3.48
Rot. Bonds6

About 4-(4-chlorophenyl)-1-[3-(dimethylamino)propyl]-2,5-dimethylpyrrole-3-carboxamide

4-(4-chlorophenyl)-1-[3-(dimethylamino)propyl]-2,5-dimethylpyrrole-3-carboxamide (PubChem CID 3874510) has the molecular formula C18H24ClN3O and a molecular weight of 333.86 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-[3-(dimethylamino)propyl]-2,5-dimethylpyrrole-3-carboxamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-[3-(dimethylamino)propyl]-2,5-dimethylpyrrole-3-carboxamide
PubChem CID3874510
Molecular FormulaC18H24ClN3O
Molecular Weight333.86 g/mol
Exact Mass333.16
IUPAC Name4-(4-chlorophenyl)-1-[3-(dimethylamino)propyl]-2,5-dimethylpyrrole-3-carboxamide
SMILESCc1c(C(N)=O)c(-c2ccc(Cl)cc2)c(C)n1CCCN(C)C
InChIInChI=1S/C18H24ClN3O/c1-12-16(14-6-8-15(19)9-7-14)17(18(20)23)13(2)22(12)11-5-10-21(3)4/h6-9H,5,10-11H2,1-4H3,(H2,20,23)
InChIKeyXQIHZUVQZLEIGF-UHFFFAOYSA-N
XLogP3.48
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.86
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(4-chlorophenyl)-1-[3-(dimethylamino)propyl]-2,5-dimethylpyrrole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(dimethylamino)propyl]-5-ethyl-4-(4-fluorophenyl)-2-methylpyrrole-3-carboxamide
CID 3759188
1-[3-(dimethylamino)propyl]-4-(4-methoxyphenyl)-2-methyl-5-pentylpyrrole-3-carboxamide
CID 3766380
1-benzyl-4-[4-(dimethylamino)phenyl]-2,5-dimethylpyrrole-3-carboxamide
CID 4669918
1-benzyl-2,5-dimethyl-4-(4-methylphenyl)pyrrole-3-carboxamide
CID 3458607
1-[(4-chlorophenyl)methyl]-2-methyl-4,5-diphenylpyrrole-3-carboxamide
CID 3491442
2,5-dimethyl-4-(4-methylphenyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrole-3-carboxamide
CID 3436273
4-(4-chlorophenyl)-5-ethyl-1-[2-(4-hydroxyphenyl)ethyl]-2-methylpyrrole-3-carboxamide
CID 3863874
4-(4-bromophenyl)-2,5-dimethyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrole-3-carboxamide
CID 3816605
1-(3-hydroxypropyl)-2,5-dimethyl-4-pyridin-3-ylpyrrole-3-carboxamide
CID 3485149
1-(3-hydroxypropyl)-2-methyl-4-(4-methylphenyl)-5-pentylpyrrole-3-carboxamide
CID 3794616
2,5-dimethyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]-4-(4-pyrrolidin-1-ylphenyl)pyrrole-3-carboxamide
CID 4992163
1,5-dibutyl-4-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide
CID 3748137

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1-[3-(dimethylamino)propyl]-2,5-dimethylpyrrole-3-carboxamide?
The IUPAC name of 4-(4-chlorophenyl)-1-[3-(dimethylamino)propyl]-2,5-dimethylpyrrole-3-carboxamide (CID 3874510) is 4-(4-chlorophenyl)-1-[3-(dimethylamino)propyl]-2,5-dimethylpyrrole-3-carboxamide.
What is the SMILES notation for 4-(4-chlorophenyl)-1-[3-(dimethylamino)propyl]-2,5-dimethylpyrrole-3-carboxamide?
The canonical SMILES for 4-(4-chlorophenyl)-1-[3-(dimethylamino)propyl]-2,5-dimethylpyrrole-3-carboxamide is Cc1c(C(N)=O)c(-c2ccc(Cl)cc2)c(C)n1CCCN(C)C.
What is the InChIKey of 4-(4-chlorophenyl)-1-[3-(dimethylamino)propyl]-2,5-dimethylpyrrole-3-carboxamide?
The InChIKey is XQIHZUVQZLEIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O/c1-12-16(14-6-8-15(19)9-7-14)17(18(20)23)13(2)22(12)11-5-10-21(3)4/h6-9H,5,10-11H2,1-4H3,(H2,20,23).
What are the key properties of 4-(4-chlorophenyl)-1-[3-(dimethylamino)propyl]-2,5-dimethylpyrrole-3-carboxamide?
4-(4-chlorophenyl)-1-[3-(dimethylamino)propyl]-2,5-dimethylpyrrole-3-carboxamide has a molecular weight of 333.86 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1-[3-(dimethylamino)propyl]-2,5-dimethylpyrrole-3-carboxamide is sourced from PubChem (CID 3874510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).