(4-fluoro-3-methylphenyl)-(3-methylpyrrolidin-3-yl)methanone

C13H16FNO — CID 116570075

IUPAC(4-fluoro-3-methylphenyl)-(3-methylpyrrolidin-3-yl)methanone
SMILESCc1cc(C(=O)C2(C)CCNC2)ccc1F
InChIInChI=1S/C13H16FNO/c1-9-7-10(3-4-11(9)14)12(16)13(2)5-6-15-8-13/h3-4,7,15H,5-6,8H2,1-2H3
InChIKeyNTVOGPHHTKRQOU-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.32
Rot. Bonds2

About (4-fluoro-3-methylphenyl)-(3-methylpyrrolidin-3-yl)methanone

(4-fluoro-3-methylphenyl)-(3-methylpyrrolidin-3-yl)methanone (PubChem CID 116570075) has the molecular formula C13H16FNO and a molecular weight of 221.28 g/mol. Its IUPAC name is (4-fluoro-3-methylphenyl)-(3-methylpyrrolidin-3-yl)methanone.

Molecular Properties

Compound Name(4-fluoro-3-methylphenyl)-(3-methylpyrrolidin-3-yl)methanone
PubChem CID116570075
Molecular FormulaC13H16FNO
Molecular Weight221.28 g/mol
Exact Mass221.12
IUPAC Name(4-fluoro-3-methylphenyl)-(3-methylpyrrolidin-3-yl)methanone
SMILESCc1cc(C(=O)C2(C)CCNC2)ccc1F
InChIInChI=1S/C13H16FNO/c1-9-7-10(3-4-11(9)14)12(16)13(2)5-6-15-8-13/h3-4,7,15H,5-6,8H2,1-2H3
InChIKeyNTVOGPHHTKRQOU-UHFFFAOYSA-N
XLogP2.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4-fluoro-3-methylphenyl)-(3-methylpyrrolidin-3-yl)methanone 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-fluorophenyl)-(3-methylpyrrolidin-3-yl)methanone
CID 116569947
(3,4-difluorophenyl)-(4-methylpiperidin-4-yl)methanone
CID 116567488
N-(4-fluoro-3-methylphenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119707219
N-(2,6-difluoro-3-methylphenyl)-3-methylpyrrolidine-3-carboxamide
CID 82818995
(4-methylphenyl)-(3-methylpiperidin-3-yl)methanone
CID 116569340
N-(3-fluoro-4-methylphenyl)-3-methylpyrrolidine-3-carboxamide
CID 55165517
(3-chloro-4-methylphenyl)-(4-methylpiperidin-4-yl)methanone
CID 107561270
(3-ethylphenyl)-(3-methylpyrrolidin-3-yl)methanone
CID 116570011
N-(5-carbamoyl-2-fluorophenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119727613
(4-fluoro-3-methylphenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119032534
N-(5-chloro-2-fluorophenyl)-3-methylpyrrolidine-3-carboxamide
CID 63138625
1-(4-fluoro-3-methylbenzoyl)-4-methylpiperidine-4-carboxylic acid
CID 63209441

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-3-methylphenyl)-(3-methylpyrrolidin-3-yl)methanone?
The IUPAC name of (4-fluoro-3-methylphenyl)-(3-methylpyrrolidin-3-yl)methanone (CID 116570075) is (4-fluoro-3-methylphenyl)-(3-methylpyrrolidin-3-yl)methanone.
What is the SMILES notation for (4-fluoro-3-methylphenyl)-(3-methylpyrrolidin-3-yl)methanone?
The canonical SMILES for (4-fluoro-3-methylphenyl)-(3-methylpyrrolidin-3-yl)methanone is Cc1cc(C(=O)C2(C)CCNC2)ccc1F.
What is the InChIKey of (4-fluoro-3-methylphenyl)-(3-methylpyrrolidin-3-yl)methanone?
The InChIKey is NTVOGPHHTKRQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO/c1-9-7-10(3-4-11(9)14)12(16)13(2)5-6-15-8-13/h3-4,7,15H,5-6,8H2,1-2H3.
What are the key properties of (4-fluoro-3-methylphenyl)-(3-methylpyrrolidin-3-yl)methanone?
(4-fluoro-3-methylphenyl)-(3-methylpyrrolidin-3-yl)methanone has a molecular weight of 221.28 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-3-methylphenyl)-(3-methylpyrrolidin-3-yl)methanone is sourced from PubChem (CID 116570075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).