(2-fluoro-5-methylphenyl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone

C17H17FN2O — CID 138002342

IUPAC(2-fluoro-5-methylphenyl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone
SMILESCc1ccc(F)c(C(=O)N2CCC(c3cccnc3)C2)c1
InChIInChI=1S/C17H17FN2O/c1-12-4-5-16(18)15(9-12)17(21)20-8-6-14(11-20)13-3-2-7-19-10-13/h2-5,7,9-10,14H,6,8,11H2,1H3
InChIKeyUINPLDVZUNWLJJ-UHFFFAOYSA-N
MW284.33 g/mol
LogP3.16
Rot. Bonds2

About (2-fluoro-5-methylphenyl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone

(2-fluoro-5-methylphenyl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone (PubChem CID 138002342) has the molecular formula C17H17FN2O and a molecular weight of 284.33 g/mol. Its IUPAC name is (2-fluoro-5-methylphenyl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(2-fluoro-5-methylphenyl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone
PubChem CID138002342
Molecular FormulaC17H17FN2O
Molecular Weight284.33 g/mol
Exact Mass284.13
IUPAC Name(2-fluoro-5-methylphenyl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone
SMILESCc1ccc(F)c(C(=O)N2CCC(c3cccnc3)C2)c1
InChIInChI=1S/C17H17FN2O/c1-12-4-5-16(18)15(9-12)17(21)20-8-6-14(11-20)13-3-2-7-19-10-13/h2-5,7,9-10,14H,6,8,11H2,1H3
InChIKeyUINPLDVZUNWLJJ-UHFFFAOYSA-N
XLogP3.16
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2-fluoro-5-methylphenyl)-(3-pyridin-3-ylpyrrolidin-1-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

(2-fluoro-4-methylphenyl)-(3-phenylpyrrolidin-1-yl)methanone
CID 79783331
(2-fluoro-5-methylphenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 62512522
(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)-[(3R)-3-phenylpyrrolidin-1-yl]methanone
CID 97067813
(4-iodophenyl)-[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methanone
CID 96537371
(2-fluoro-5-methylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 62510549
1-(4-pyridin-3-ylpiperidin-1-yl)ethanone
CID 129301457
[4-(4-ethoxy-3-methylphenyl)-2-methylphenyl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 67435954
azetidin-1-yl-(2-fluoro-5-methylphenyl)methanone
CID 118296976
(5-phenyl-1,2-oxazol-4-yl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 59170262
(3R)-1-(2-fluoro-5-methylbenzoyl)piperidine-3-carboxylic acid
CID 81119715
[5-(3-chlorophenyl)-1,2-oxazol-4-yl]-[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methanone
CID 59170215
(5-butyl-1,2-oxazol-4-yl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 59170086

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-5-methylphenyl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone?
The IUPAC name of (2-fluoro-5-methylphenyl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone (CID 138002342) is (2-fluoro-5-methylphenyl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (2-fluoro-5-methylphenyl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for (2-fluoro-5-methylphenyl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone is Cc1ccc(F)c(C(=O)N2CCC(c3cccnc3)C2)c1.
What is the InChIKey of (2-fluoro-5-methylphenyl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone?
The InChIKey is UINPLDVZUNWLJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O/c1-12-4-5-16(18)15(9-12)17(21)20-8-6-14(11-20)13-3-2-7-19-10-13/h2-5,7,9-10,14H,6,8,11H2,1H3.
What are the key properties of (2-fluoro-5-methylphenyl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone?
(2-fluoro-5-methylphenyl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone has a molecular weight of 284.33 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-5-methylphenyl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 138002342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).