(2-chloro-5,6-difluoro-3-methylphenyl)-(2,6-dimethylpiperidin-1-yl)methanone

C15H18ClF2NO — CID 2872251

IUPAC(2-chloro-5,6-difluoro-3-methylphenyl)-(2,6-dimethylpiperidin-1-yl)methanone
SMILESCc1cc(F)c(F)c(C(=O)N2C(C)CCCC2C)c1Cl
InChIInChI=1S/C15H18ClF2NO/c1-8-7-11(17)14(18)12(13(8)16)15(20)19-9(2)5-4-6-10(19)3/h7,9-10H,4-6H2,1-3H3
InChIKeyJDWMTXGINVSHEU-UHFFFAOYSA-N
MW301.76 g/mol
LogP4.33
Rot. Bonds1

About (2-chloro-5,6-difluoro-3-methylphenyl)-(2,6-dimethylpiperidin-1-yl)methanone

(2-chloro-5,6-difluoro-3-methylphenyl)-(2,6-dimethylpiperidin-1-yl)methanone (PubChem CID 2872251) has the molecular formula C15H18ClF2NO and a molecular weight of 301.76 g/mol. Its IUPAC name is (2-chloro-5,6-difluoro-3-methylphenyl)-(2,6-dimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-chloro-5,6-difluoro-3-methylphenyl)-(2,6-dimethylpiperidin-1-yl)methanone
PubChem CID2872251
Molecular FormulaC15H18ClF2NO
Molecular Weight301.76 g/mol
Exact Mass301.10
IUPAC Name(2-chloro-5,6-difluoro-3-methylphenyl)-(2,6-dimethylpiperidin-1-yl)methanone
SMILESCc1cc(F)c(F)c(C(=O)N2C(C)CCCC2C)c1Cl
InChIInChI=1S/C15H18ClF2NO/c1-8-7-11(17)14(18)12(13(8)16)15(20)19-9(2)5-4-6-10(19)3/h7,9-10H,4-6H2,1-3H3
InChIKeyJDWMTXGINVSHEU-UHFFFAOYSA-N
XLogP4.33
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.76
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2-chloro-5,6-difluoro-3-methylphenyl)-(2,6-dimethylpiperidin-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

Ssr-504734
CID 9954540
N-methyl-SSR504734
CID 11704260
1-(2-Chloro-5,6-difluoro-3-methylbenzoyl)-4-methylpiperidine
CID 604891
(2-Chloro-6-fluorophenyl)(4-methyl-1,4-diazepan-1-yl)methanone
CID 17127018
(2,4-Dichloro-phenyl)-(3-trifluoromethyl-piperidin-1-yl)-methanone
CID 599579
2-chloro-N-cyclohexyl-N-methylbenzamide
CID 306655
(4-Benzylpiperidin-1-yl)(2-chlorophenyl)methanone
CID 667590
2,6-dichloro-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 155516318
2,6-dichloro-N-[(3S,4S)-3-fluoro-1-propan-2-ylpiperidin-4-yl]benzamide
CID 155544255
2-Chloro-N,N-diethylbenzamide
CID 82566
Benzamide, 3,4-dichloro-N,N-bis(1-methylpropyl)-
CID 214195
1-(2-Chloro-4,5-difluorobenzoyl)piperidine
CID 744426

Frequently Asked Questions

What is the IUPAC name of (2-chloro-5,6-difluoro-3-methylphenyl)-(2,6-dimethylpiperidin-1-yl)methanone?
The IUPAC name of (2-chloro-5,6-difluoro-3-methylphenyl)-(2,6-dimethylpiperidin-1-yl)methanone (CID 2872251) is (2-chloro-5,6-difluoro-3-methylphenyl)-(2,6-dimethylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-chloro-5,6-difluoro-3-methylphenyl)-(2,6-dimethylpiperidin-1-yl)methanone?
The canonical SMILES for (2-chloro-5,6-difluoro-3-methylphenyl)-(2,6-dimethylpiperidin-1-yl)methanone is Cc1cc(F)c(F)c(C(=O)N2C(C)CCCC2C)c1Cl.
What is the InChIKey of (2-chloro-5,6-difluoro-3-methylphenyl)-(2,6-dimethylpiperidin-1-yl)methanone?
The InChIKey is JDWMTXGINVSHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClF2NO/c1-8-7-11(17)14(18)12(13(8)16)15(20)19-9(2)5-4-6-10(19)3/h7,9-10H,4-6H2,1-3H3.
What are the key properties of (2-chloro-5,6-difluoro-3-methylphenyl)-(2,6-dimethylpiperidin-1-yl)methanone?
(2-chloro-5,6-difluoro-3-methylphenyl)-(2,6-dimethylpiperidin-1-yl)methanone has a molecular weight of 301.76 g/mol, XLogP of 4.33, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-5,6-difluoro-3-methylphenyl)-(2,6-dimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 2872251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).