4-amino-N-(2-chloro-6-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide

C15H18ClN3O — CID 66254121

IUPAC4-amino-N-(2-chloro-6-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide
SMILESCc1cccc(Cl)c1NC(=O)c1cc(N)cn1C(C)C
InChIInChI=1S/C15H18ClN3O/c1-9(2)19-8-11(17)7-13(19)15(20)18-14-10(3)5-4-6-12(14)16/h4-9H,17H2,1-3H3,(H,18,20)
InChIKeyNTTGTPOLBOEYMM-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.87
Rot. Bonds3

About 4-amino-N-(2-chloro-6-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide

4-amino-N-(2-chloro-6-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide (PubChem CID 66254121) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 4-amino-N-(2-chloro-6-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-chloro-6-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide
PubChem CID66254121
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name4-amino-N-(2-chloro-6-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide
SMILESCc1cccc(Cl)c1NC(=O)c1cc(N)cn1C(C)C
InChIInChI=1S/C15H18ClN3O/c1-9(2)19-8-11(17)7-13(19)15(20)18-14-10(3)5-4-6-12(14)16/h4-9H,17H2,1-3H3,(H,18,20)
InChIKeyNTTGTPOLBOEYMM-UHFFFAOYSA-N
XLogP3.87
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-amino-N-(2-chloro-6-methylphenyl)-1-propan-2-ylpyrrole-2-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

4-amino-N-(2,6-dichloro-4-fluorophenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 83077744
4-amino-N-(2,4-dichlorophenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43642744
4-amino-1-propan-2-yl-N-(2,4,6-tribromophenyl)pyrrole-2-carboxamide
CID 43643274
5-amino-N-(2-chloro-6-methylphenyl)pyrazine-2-carboxamide
CID 107376052
4-amino-N-(5-chloro-2-fluorophenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43643581
4-amino-N-(3-iodophenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43643244
4-amino-N-(5-bromo-2-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43805816
4-amino-N-(2-methyl-3-pyridinyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 79042631
2,6-dichloro-N-(2-chloro-6-methylphenyl)benzamide
CID 4548334
4-amino-N-(2-fluoro-4-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43643166
4-amino-N-(1H-imidazol-2-yl)-1-propan-2-ylpyrrole-2-carboxamide
CID 63564434
4-amino-N-[4-(dimethylamino)phenyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 43644133

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-chloro-6-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-(2-chloro-6-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide (CID 66254121) is 4-amino-N-(2-chloro-6-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-(2-chloro-6-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-(2-chloro-6-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide is Cc1cccc(Cl)c1NC(=O)c1cc(N)cn1C(C)C.
What is the InChIKey of 4-amino-N-(2-chloro-6-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide?
The InChIKey is NTTGTPOLBOEYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-9(2)19-8-11(17)7-13(19)15(20)18-14-10(3)5-4-6-12(14)16/h4-9H,17H2,1-3H3,(H,18,20).
What are the key properties of 4-amino-N-(2-chloro-6-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide?
4-amino-N-(2-chloro-6-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide has a molecular weight of 291.78 g/mol, XLogP of 3.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-chloro-6-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide is sourced from PubChem (CID 66254121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).