N-(3-fluoro-4-methylphenyl)-3-methylpyrrolidine-3-carboxamide

C13H17FN2O — CID 55165517

IUPACN-(3-fluoro-4-methylphenyl)-3-methylpyrrolidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2(C)CCNC2)cc1F
InChIInChI=1S/C13H17FN2O/c1-9-3-4-10(7-11(9)14)16-12(17)13(2)5-6-15-8-13/h3-4,7,15H,5-6,8H2,1-2H3,(H,16,17)
InChIKeyUEOUIWLBIOEAIH-UHFFFAOYSA-N
MW236.29 g/mol
LogP2.07
Rot. Bonds2

About N-(3-fluoro-4-methylphenyl)-3-methylpyrrolidine-3-carboxamide

N-(3-fluoro-4-methylphenyl)-3-methylpyrrolidine-3-carboxamide (PubChem CID 55165517) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-3-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-3-methylpyrrolidine-3-carboxamide
PubChem CID55165517
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC NameN-(3-fluoro-4-methylphenyl)-3-methylpyrrolidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2(C)CCNC2)cc1F
InChIInChI=1S/C13H17FN2O/c1-9-3-4-10(7-11(9)14)16-12(17)13(2)5-6-15-8-13/h3-4,7,15H,5-6,8H2,1-2H3,(H,16,17)
InChIKeyUEOUIWLBIOEAIH-UHFFFAOYSA-N
XLogP2.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(3-fluoro-4-methylphenyl)-3-methylpyrrolidine-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

N-(4-fluoro-3-methylphenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119707219
N-(3-chloro-4-methylphenyl)-3-methylpyrrolidine-3-carboxamide
CID 63140585
N-(3-bromo-4-methylphenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119704619
N-(2,6-difluoro-3-methylphenyl)-3-methylpyrrolidine-3-carboxamide
CID 82818995
N-(3-fluoro-4-methylphenyl)-3-methyloxetane-3-carboxamide
CID 172576185
N-(3,4-dichlorophenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119670891
N-(4-chloro-3-fluorophenyl)-3-methylpiperidine-3-carboxamide
CID 63130654
N-(5-acetamido-2-fluorophenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119705037
3-methyl-N-(2-methyl-4-pyridinyl)pyrrolidine-3-carboxamide
CID 79240444
2-hydroxy-4-[(3-methylpyrrolidine-3-carbonyl)amino]benzoic acid
CID 63141374
N-(4-tert-butylphenyl)-3-methylpyrrolidine-3-carboxamide
CID 55165707
N-(3-acetamido-4-methylphenyl)-4-methylpiperidine-4-carboxamide
CID 63121630

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-3-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-3-methylpyrrolidine-3-carboxamide (CID 55165517) is N-(3-fluoro-4-methylphenyl)-3-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-3-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-3-methylpyrrolidine-3-carboxamide is Cc1ccc(NC(=O)C2(C)CCNC2)cc1F.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-3-methylpyrrolidine-3-carboxamide?
The InChIKey is UEOUIWLBIOEAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c1-9-3-4-10(7-11(9)14)16-12(17)13(2)5-6-15-8-13/h3-4,7,15H,5-6,8H2,1-2H3,(H,16,17).
What are the key properties of N-(3-fluoro-4-methylphenyl)-3-methylpyrrolidine-3-carboxamide?
N-(3-fluoro-4-methylphenyl)-3-methylpyrrolidine-3-carboxamide has a molecular weight of 236.29 g/mol, XLogP of 2.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-3-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 55165517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).