N-(2-carbamoylphenyl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide

C17H21N3O2 — CID 110698947

IUPACN-(2-carbamoylphenyl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2C(N)=O)c(C)n1C(C)C
InChIInChI=1S/C17H21N3O2/c1-10(2)20-11(3)9-14(12(20)4)17(22)19-15-8-6-5-7-13(15)16(18)21/h5-10H,1-4H3,(H2,18,21)(H,19,22)
InChIKeyFGGNWIBPAFNBBG-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.04
Rot. Bonds4

About N-(2-carbamoylphenyl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide

N-(2-carbamoylphenyl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide (PubChem CID 110698947) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-(2-carbamoylphenyl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-(2-carbamoylphenyl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
PubChem CID110698947
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-(2-carbamoylphenyl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2C(N)=O)c(C)n1C(C)C
InChIInChI=1S/C17H21N3O2/c1-10(2)20-11(3)9-14(12(20)4)17(22)19-15-8-6-5-7-13(15)16(18)21/h5-10H,1-4H3,(H2,18,21)(H,19,22)
InChIKeyFGGNWIBPAFNBBG-UHFFFAOYSA-N
XLogP3.04
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2-carbamoylphenyl)-2,5-dimethyl-1-propan-2-ylpyrrole-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

2,5-dimethyl-N'-(4-methylbenzoyl)-1-propan-2-ylpyrrole-3-carbohydrazide
CID 9476103
5-bromo-N-(2-carbamoylphenyl)-2-methylbenzamide
CID 65311671
1,2,5-trimethyl-N-(2-propan-2-ylphenyl)pyrrole-3-carboxamide
CID 125145147
N-(2-carbamoylphenyl)-4-fluoro-2-methylbenzamide
CID 115745249
N-(4-bromo-3-methylphenyl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
CID 9095989
2-(2-bromopropanoylamino)benzamide
CID 14588064
N-(2,2-diphenylpropyl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
CID 18208847
N-[[2-(hydroxymethyl)phenyl]methyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
CID 110909012
2-[[2-(ethylamino)benzoyl]amino]benzamide
CID 63107722
2-benzamidobenzamide
CID 702115
2-[(2-ethylsulfanylbenzoyl)amino]benzamide
CID 4631713
N-(3-amino-4-methoxyphenyl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide;hydrochloride
CID 119419370

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamoylphenyl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide?
The IUPAC name of N-(2-carbamoylphenyl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide (CID 110698947) is N-(2-carbamoylphenyl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide.
What is the SMILES notation for N-(2-carbamoylphenyl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide?
The canonical SMILES for N-(2-carbamoylphenyl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide is Cc1cc(C(=O)Nc2ccccc2C(N)=O)c(C)n1C(C)C.
What is the InChIKey of N-(2-carbamoylphenyl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide?
The InChIKey is FGGNWIBPAFNBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-10(2)20-11(3)9-14(12(20)4)17(22)19-15-8-6-5-7-13(15)16(18)21/h5-10H,1-4H3,(H2,18,21)(H,19,22).
What are the key properties of N-(2-carbamoylphenyl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide?
N-(2-carbamoylphenyl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamoylphenyl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide is sourced from PubChem (CID 110698947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).