(2-chloro-6-fluorophenyl)-[(2S)-2-(4-methylphenyl)pyrrolidin-1-yl]methanone

C18H17ClFNO — CID 94080653

IUPAC(2-chloro-6-fluorophenyl)-[(2S)-2-(4-methylphenyl)pyrrolidin-1-yl]methanone
SMILESCc1ccc([C@@H]2CCCN2C(=O)c2c(F)cccc2Cl)cc1
InChIInChI=1S/C18H17ClFNO/c1-12-7-9-13(10-8-12)16-6-3-11-21(16)18(22)17-14(19)4-2-5-15(17)20/h2,4-5,7-10,16H,3,6,11H2,1H3/t16-/m0/s1
InChIKeyUGAIOUSMVSJMHG-INIZCTEOSA-N
MW317.79 g/mol
LogP4.76
Rot. Bonds2

About (2-chloro-6-fluorophenyl)-[(2S)-2-(4-methylphenyl)pyrrolidin-1-yl]methanone

(2-chloro-6-fluorophenyl)-[(2S)-2-(4-methylphenyl)pyrrolidin-1-yl]methanone (PubChem CID 94080653) has the molecular formula C18H17ClFNO and a molecular weight of 317.79 g/mol. Its IUPAC name is (2-chloro-6-fluorophenyl)-[(2S)-2-(4-methylphenyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-chloro-6-fluorophenyl)-[(2S)-2-(4-methylphenyl)pyrrolidin-1-yl]methanone
PubChem CID94080653
Molecular FormulaC18H17ClFNO
Molecular Weight317.79 g/mol
Exact Mass317.10
IUPAC Name(2-chloro-6-fluorophenyl)-[(2S)-2-(4-methylphenyl)pyrrolidin-1-yl]methanone
SMILESCc1ccc([C@@H]2CCCN2C(=O)c2c(F)cccc2Cl)cc1
InChIInChI=1S/C18H17ClFNO/c1-12-7-9-13(10-8-12)16-6-3-11-21(16)18(22)17-14(19)4-2-5-15(17)20/h2,4-5,7-10,16H,3,6,11H2,1H3/t16-/m0/s1
InChIKeyUGAIOUSMVSJMHG-INIZCTEOSA-N
XLogP4.76
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.79
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (2-chloro-6-fluorophenyl)-[(2S)-2-(4-methylphenyl)pyrrolidin-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-chloro-6-fluorophenyl)-[2-(3-fluorophenyl)pyrrolidin-1-yl]methanone
CID 50747030
(2-chloro-6-fluorophenyl)-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methanone
CID 46366289
(2-chloro-6-fluorophenyl)-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 56730024
(2-chloro-6-fluorophenyl)-[(2S)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methanone
CID 92877766
[6-[2-(4-methylphenyl)pyrrolidine-1-carbonyl]-2-pyridinyl]-[2-(4-methylphenyl)pyrrolidin-1-yl]methanone
CID 43070750
[(2R)-2-[4-(cyclopentylamino)phenyl]piperidin-1-yl]-(2-fluoro-6-methylphenyl)methanone
CID 146793309
(2-bromo-6-fluorophenyl)-(2-phenylpyrrolidin-1-yl)methanone
CID 114559410
[2-[4-[(2,5-dimethylpyrrolidin-1-yl)methyl]phenyl]piperidin-1-yl]-(2-fluoro-6-methylphenyl)methanone
CID 129084484
(2-chloro-6-fluorophenyl)-[2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 110866905
(2R)-N-(2-chlorophenyl)-2-(4-methylphenyl)azepane-1-carboxamide
CID 93076743
(2-chloro-6-fluorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 17217403
1-[2-(4-methylphenyl)piperidin-1-yl]ethanone
CID 127352065

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-fluorophenyl)-[(2S)-2-(4-methylphenyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (2-chloro-6-fluorophenyl)-[(2S)-2-(4-methylphenyl)pyrrolidin-1-yl]methanone (CID 94080653) is (2-chloro-6-fluorophenyl)-[(2S)-2-(4-methylphenyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-chloro-6-fluorophenyl)-[(2S)-2-(4-methylphenyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2-chloro-6-fluorophenyl)-[(2S)-2-(4-methylphenyl)pyrrolidin-1-yl]methanone is Cc1ccc([C@@H]2CCCN2C(=O)c2c(F)cccc2Cl)cc1.
What is the InChIKey of (2-chloro-6-fluorophenyl)-[(2S)-2-(4-methylphenyl)pyrrolidin-1-yl]methanone?
The InChIKey is UGAIOUSMVSJMHG-INIZCTEOSA-N. The full InChI is InChI=1S/C18H17ClFNO/c1-12-7-9-13(10-8-12)16-6-3-11-21(16)18(22)17-14(19)4-2-5-15(17)20/h2,4-5,7-10,16H,3,6,11H2,1H3/t16-/m0/s1.
What are the key properties of (2-chloro-6-fluorophenyl)-[(2S)-2-(4-methylphenyl)pyrrolidin-1-yl]methanone?
(2-chloro-6-fluorophenyl)-[(2S)-2-(4-methylphenyl)pyrrolidin-1-yl]methanone has a molecular weight of 317.79 g/mol, XLogP of 4.76, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-fluorophenyl)-[(2S)-2-(4-methylphenyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 94080653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).