(2-chloro-4,5-difluorophenyl)-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methanone

C16H13ClF2N2O — CID 94803151

IUPAC(2-chloro-4,5-difluorophenyl)-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methanone
SMILESO=C(c1cc(F)c(F)cc1Cl)N1CCC[C@@H]1c1ccccn1
InChIInChI=1S/C16H13ClF2N2O/c17-11-9-13(19)12(18)8-10(11)16(22)21-7-3-5-15(21)14-4-1-2-6-20-14/h1-2,4,6,8-9,15H,3,5,7H2/t15-/m1/s1
InChIKeyWATOFAHMRPIBPA-OAHLLOKOSA-N
MW322.74 g/mol
LogP3.99
Rot. Bonds2

About (2-chloro-4,5-difluorophenyl)-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methanone

(2-chloro-4,5-difluorophenyl)-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methanone (PubChem CID 94803151) has the molecular formula C16H13ClF2N2O and a molecular weight of 322.74 g/mol. Its IUPAC name is (2-chloro-4,5-difluorophenyl)-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-chloro-4,5-difluorophenyl)-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methanone
PubChem CID94803151
Molecular FormulaC16H13ClF2N2O
Molecular Weight322.74 g/mol
Exact Mass322.07
IUPAC Name(2-chloro-4,5-difluorophenyl)-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methanone
SMILESO=C(c1cc(F)c(F)cc1Cl)N1CCC[C@@H]1c1ccccn1
InChIInChI=1S/C16H13ClF2N2O/c17-11-9-13(19)12(18)8-10(11)16(22)21-7-3-5-15(21)14-4-1-2-6-20-14/h1-2,4,6,8-9,15H,3,5,7H2/t15-/m1/s1
InChIKeyWATOFAHMRPIBPA-OAHLLOKOSA-N
XLogP3.99
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.74
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze (2-chloro-4,5-difluorophenyl)-[(2R)-2-pyridin-2-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-chloro-4,5-difluorophenyl)-(2-pyridin-4-ylazepan-1-yl)methanone
CID 55764729
(2-chloro-4,5-difluorophenyl)-[2-(furan-2-yl)pyrrolidin-1-yl]methanone
CID 20895629
(3-chlorophenyl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
CID 47380034
[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(2-chloro-4,5-difluorophenyl)methanone
CID 95568951
(6-chloro-2-methylquinolin-4-yl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
CID 70742167
(3,5-dichloro-4-methylphenyl)-[(2R)-2-pyridin-2-ylpiperidin-1-yl]methanone
CID 97144676
3-(2-pyridin-2-ylpyrrolidine-1-carbonyl)-1H-pyridin-2-one
CID 47380030
6-fluoro-3-[(2S)-2-pyridin-2-ylpyrrolidine-1-carbonyl]-1H-quinolin-4-one
CID 95867221
[5-(3-chlorophenyl)-1,2-oxazol-4-yl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
CID 59170111
N-(4-chlorophenyl)-2-pyridin-2-ylpyrrolidine-1-carboxamide
CID 110874700
(5-chloro-6-propan-2-yloxy-3-pyridinyl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
CID 56819037
[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methanone
CID 95720181

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4,5-difluorophenyl)-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methanone?
The IUPAC name of (2-chloro-4,5-difluorophenyl)-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methanone (CID 94803151) is (2-chloro-4,5-difluorophenyl)-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-chloro-4,5-difluorophenyl)-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methanone?
The canonical SMILES for (2-chloro-4,5-difluorophenyl)-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methanone is O=C(c1cc(F)c(F)cc1Cl)N1CCC[C@@H]1c1ccccn1.
What is the InChIKey of (2-chloro-4,5-difluorophenyl)-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methanone?
The InChIKey is WATOFAHMRPIBPA-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H13ClF2N2O/c17-11-9-13(19)12(18)8-10(11)16(22)21-7-3-5-15(21)14-4-1-2-6-20-14/h1-2,4,6,8-9,15H,3,5,7H2/t15-/m1/s1.
What are the key properties of (2-chloro-4,5-difluorophenyl)-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methanone?
(2-chloro-4,5-difluorophenyl)-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methanone has a molecular weight of 322.74 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4,5-difluorophenyl)-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 94803151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).