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

C24H28ClN3O — CID 3807697

IUPAC1-[2-(3-chlorophenyl)ethyl]-5-[4-(diethylamino)phenyl]-2-methylpyrrole-3-carboxamide
SMILESCCN(CC)c1ccc(-c2cc(C(N)=O)c(C)n2CCc2cccc(Cl)c2)cc1
InChIInChI=1S/C24H28ClN3O/c1-4-27(5-2)21-11-9-19(10-12-21)23-16-22(24(26)29)17(3)28(23)14-13-18-7-6-8-20(25)15-18/h6-12,15-16H,4-5,13-14H2,1-3H3,(H2,26,29)
InChIKeyIFVUKSLGHVUTNW-UHFFFAOYSA-N
MW409.96 g/mol
LogP5.30
Rot. Bonds8

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

1-[2-(3-chlorophenyl)ethyl]-5-[4-(diethylamino)phenyl]-2-methylpyrrole-3-carboxamide (PubChem CID 3807697) has the molecular formula C24H28ClN3O and a molecular weight of 409.96 g/mol. Its IUPAC name is 1-[2-(3-chlorophenyl)ethyl]-5-[4-(diethylamino)phenyl]-2-methylpyrrole-3-carboxamide.

Molecular Properties

Compound Name1-[2-(3-chlorophenyl)ethyl]-5-[4-(diethylamino)phenyl]-2-methylpyrrole-3-carboxamide
PubChem CID3807697
Molecular FormulaC24H28ClN3O
Molecular Weight409.96 g/mol
Exact Mass409.19
IUPAC Name1-[2-(3-chlorophenyl)ethyl]-5-[4-(diethylamino)phenyl]-2-methylpyrrole-3-carboxamide
SMILESCCN(CC)c1ccc(-c2cc(C(N)=O)c(C)n2CCc2cccc(Cl)c2)cc1
InChIInChI=1S/C24H28ClN3O/c1-4-27(5-2)21-11-9-19(10-12-21)23-16-22(24(26)29)17(3)28(23)14-13-18-7-6-8-20(25)15-18/h6-12,15-16H,4-5,13-14H2,1-3H3,(H2,26,29)
InChIKeyIFVUKSLGHVUTNW-UHFFFAOYSA-N
XLogP5.30
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.96
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}

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Related Compounds

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
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-methyl-5-naphthalen-2-ylpyrrole-3-carboxamide
CID 5168469
5-[4-(diethylamino)phenyl]-2-methyl-1-propan-2-ylpyrrole-3-carboxamide
CID 3744012
2-methyl-1-[2-(4-methylphenyl)ethyl]-5-(4-phenylphenyl)pyrrole-3-carboxamide
CID 3860213
5-(3-methoxyphenyl)-1-[2-(3-methoxyphenyl)ethyl]-2-methylpyrrole-3-carboxamide
CID 3827290
1-[2-(4-chlorophenyl)ethyl]-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpyrrole-3-carboxamide
CID 3853408
1-[2-(3-chlorophenyl)ethyl]-2,4-dimethyl-5-phenylpyrrole-3-carboxamide
CID 3416100
1-[2-(2-chlorophenyl)ethyl]-5-(4-cyanophenyl)-2-methylpyrrole-3-carboxamide
CID 3811307
N-[2-(3-chlorophenyl)ethyl]-N'-[4-(diethylamino)phenyl]oxamide
CID 108986567

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorophenyl)ethyl]-5-[4-(diethylamino)phenyl]-2-methylpyrrole-3-carboxamide?
The IUPAC name of 1-[2-(3-chlorophenyl)ethyl]-5-[4-(diethylamino)phenyl]-2-methylpyrrole-3-carboxamide (CID 3807697) is 1-[2-(3-chlorophenyl)ethyl]-5-[4-(diethylamino)phenyl]-2-methylpyrrole-3-carboxamide.
What is the SMILES notation for 1-[2-(3-chlorophenyl)ethyl]-5-[4-(diethylamino)phenyl]-2-methylpyrrole-3-carboxamide?
The canonical SMILES for 1-[2-(3-chlorophenyl)ethyl]-5-[4-(diethylamino)phenyl]-2-methylpyrrole-3-carboxamide is CCN(CC)c1ccc(-c2cc(C(N)=O)c(C)n2CCc2cccc(Cl)c2)cc1.
What is the InChIKey of 1-[2-(3-chlorophenyl)ethyl]-5-[4-(diethylamino)phenyl]-2-methylpyrrole-3-carboxamide?
The InChIKey is IFVUKSLGHVUTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN3O/c1-4-27(5-2)21-11-9-19(10-12-21)23-16-22(24(26)29)17(3)28(23)14-13-18-7-6-8-20(25)15-18/h6-12,15-16H,4-5,13-14H2,1-3H3,(H2,26,29).
What are the key properties of 1-[2-(3-chlorophenyl)ethyl]-5-[4-(diethylamino)phenyl]-2-methylpyrrole-3-carboxamide?
1-[2-(3-chlorophenyl)ethyl]-5-[4-(diethylamino)phenyl]-2-methylpyrrole-3-carboxamide has a molecular weight of 409.96 g/mol, XLogP of 5.30, 8 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-(diethylamino)phenyl]-2-methylpyrrole-3-carboxamide is sourced from PubChem (CID 3807697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).