N-(4-fluoro-3-methylphenyl)-1-methyl-2-(2-oxopropanoyl)pyrrole-3-carboxamide

C16H15FN2O3 — CID 159870653

IUPACN-(4-fluoro-3-methylphenyl)-1-methyl-2-(2-oxopropanoyl)pyrrole-3-carboxamide
SMILESCC(=O)C(=O)c1c(C(=O)Nc2ccc(F)c(C)c2)ccn1C
InChIInChI=1S/C16H15FN2O3/c1-9-8-11(4-5-13(9)17)18-16(22)12-6-7-19(3)14(12)15(21)10(2)20/h4-8H,1-3H3,(H,18,22)
InChIKeyBRTFDCFWOKOXDJ-UHFFFAOYSA-N
MW302.31 g/mol
LogP2.50
Rot. Bonds4

About N-(4-fluoro-3-methylphenyl)-1-methyl-2-(2-oxopropanoyl)pyrrole-3-carboxamide

N-(4-fluoro-3-methylphenyl)-1-methyl-2-(2-oxopropanoyl)pyrrole-3-carboxamide (PubChem CID 159870653) has the molecular formula C16H15FN2O3 and a molecular weight of 302.31 g/mol. Its IUPAC name is N-(4-fluoro-3-methylphenyl)-1-methyl-2-(2-oxopropanoyl)pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-3-methylphenyl)-1-methyl-2-(2-oxopropanoyl)pyrrole-3-carboxamide
PubChem CID159870653
Molecular FormulaC16H15FN2O3
Molecular Weight302.31 g/mol
Exact Mass302.11
IUPAC NameN-(4-fluoro-3-methylphenyl)-1-methyl-2-(2-oxopropanoyl)pyrrole-3-carboxamide
SMILESCC(=O)C(=O)c1c(C(=O)Nc2ccc(F)c(C)c2)ccn1C
InChIInChI=1S/C16H15FN2O3/c1-9-8-11(4-5-13(9)17)18-16(22)12-6-7-19(3)14(12)15(21)10(2)20/h4-8H,1-3H3,(H,18,22)
InChIKeyBRTFDCFWOKOXDJ-UHFFFAOYSA-N
XLogP2.50
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N-(4-fluoro-3-methylphenyl)-1-methyl-2-(2-oxopropanoyl)pyrrole-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-[1,1-difluoro-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1-methylpyrrole-3-carboxamide
CID 139302349
2-[1-(tert-butylamino)-2-oxohexadecyl]-N-(4-fluoro-3-methylphenyl)-1-methylpyrrole-3-carboxamide
CID 153293007
2-chloro-N-(4-fluoro-3-methylphenyl)furan-3-carboxamide
CID 106686753
3-amino-N-(4-fluoro-3-methylphenyl)-2-methylbenzamide
CID 62811033
2-amino-N-(4-fluoro-3-methylphenyl)-5-hydroxybenzamide
CID 107075174
N-(4-fluoro-3-methylphenyl)-2,2-dimethylpropanamide
CID 63235993
N-(4-fluoro-3-methylphenyl)-3,5-dihydroxybenzamide
CID 104938981
N-(3,4-difluorophenyl)-1,3,5-trimethyl-4-(2-oxopropanoyl)pyrrole-2-carboxamide
CID 130421423
N-(4-fluoro-3-methylphenyl)pyridine-4-carboxamide;hydrochloride
CID 110776367
5-amino-N-(4-fluoro-3-methylphenyl)-2-methylpyridine-3-carboxamide
CID 62811391
4-fluoro-3-methyl-N-prop-1-en-2-ylaniline
CID 142248112
5-amino-N-(4-fluoro-3-methylphenyl)-1H-indole-3-carboxamide
CID 63117335

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-methylphenyl)-1-methyl-2-(2-oxopropanoyl)pyrrole-3-carboxamide?
The IUPAC name of N-(4-fluoro-3-methylphenyl)-1-methyl-2-(2-oxopropanoyl)pyrrole-3-carboxamide (CID 159870653) is N-(4-fluoro-3-methylphenyl)-1-methyl-2-(2-oxopropanoyl)pyrrole-3-carboxamide.
What is the SMILES notation for N-(4-fluoro-3-methylphenyl)-1-methyl-2-(2-oxopropanoyl)pyrrole-3-carboxamide?
The canonical SMILES for N-(4-fluoro-3-methylphenyl)-1-methyl-2-(2-oxopropanoyl)pyrrole-3-carboxamide is CC(=O)C(=O)c1c(C(=O)Nc2ccc(F)c(C)c2)ccn1C.
What is the InChIKey of N-(4-fluoro-3-methylphenyl)-1-methyl-2-(2-oxopropanoyl)pyrrole-3-carboxamide?
The InChIKey is BRTFDCFWOKOXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O3/c1-9-8-11(4-5-13(9)17)18-16(22)12-6-7-19(3)14(12)15(21)10(2)20/h4-8H,1-3H3,(H,18,22).
What are the key properties of N-(4-fluoro-3-methylphenyl)-1-methyl-2-(2-oxopropanoyl)pyrrole-3-carboxamide?
N-(4-fluoro-3-methylphenyl)-1-methyl-2-(2-oxopropanoyl)pyrrole-3-carboxamide has a molecular weight of 302.31 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-methylphenyl)-1-methyl-2-(2-oxopropanoyl)pyrrole-3-carboxamide is sourced from PubChem (CID 159870653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).