N-(2,3-difluorophenyl)-4-(3-methylphenyl)-2-oxopiperidine-3-carboxamide

C19H18F2N2O2 — CID 158374692

IUPACN-(2,3-difluorophenyl)-4-(3-methylphenyl)-2-oxopiperidine-3-carboxamide
SMILESCc1cccc(C2CCNC(=O)C2C(=O)Nc2cccc(F)c2F)c1
InChIInChI=1S/C19H18F2N2O2/c1-11-4-2-5-12(10-11)13-8-9-22-18(24)16(13)19(25)23-15-7-3-6-14(20)17(15)21/h2-7,10,13,16H,8-9H2,1H3,(H,22,24)(H,23,25)
InChIKeyFKXLOWAZAOEVLR-UHFFFAOYSA-N
MW344.36 g/mol
LogP3.13
Rot. Bonds3

About N-(2,3-difluorophenyl)-4-(3-methylphenyl)-2-oxopiperidine-3-carboxamide

N-(2,3-difluorophenyl)-4-(3-methylphenyl)-2-oxopiperidine-3-carboxamide (PubChem CID 158374692) has the molecular formula C19H18F2N2O2 and a molecular weight of 344.36 g/mol. Its IUPAC name is N-(2,3-difluorophenyl)-4-(3-methylphenyl)-2-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-difluorophenyl)-4-(3-methylphenyl)-2-oxopiperidine-3-carboxamide
PubChem CID158374692
Molecular FormulaC19H18F2N2O2
Molecular Weight344.36 g/mol
Exact Mass344.13
IUPAC NameN-(2,3-difluorophenyl)-4-(3-methylphenyl)-2-oxopiperidine-3-carboxamide
SMILESCc1cccc(C2CCNC(=O)C2C(=O)Nc2cccc(F)c2F)c1
InChIInChI=1S/C19H18F2N2O2/c1-11-4-2-5-12(10-11)13-8-9-22-18(24)16(13)19(25)23-15-7-3-6-14(20)17(15)21/h2-7,10,13,16H,8-9H2,1H3,(H,22,24)(H,23,25)
InChIKeyFKXLOWAZAOEVLR-UHFFFAOYSA-N
XLogP3.13
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(3R,4S)-4-[3-(1,1-difluoroethyl)phenyl]-N-(2,3-difluorophenyl)-2-oxopyrrolidine-3-carboxamide
CID 134411708
(3R,4S)-4-(4-fluorophenyl)-N-(2-methylphenyl)-2-oxopiperidine-3-carboxamide
CID 165061569
(3S,4S)-N-(2,3-difluorophenyl)-4-[(4-fluorophenyl)methyl]-2-oxopiperidine-3-carboxamide
CID 155163703
(3R,4S)-N-(3-fluoro-2-methylphenyl)-4-(3-fluoro-5-methylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 134412184
4-[3-(difluoromethyl)phenyl]-N-(2,3-difluorophenyl)-2-oxopiperidine-3-carboxamide;4-[3-(difluoromethyl)phenyl]-N-(2-fluorophenyl)-2-oxopiperidine-3-carboxamide;4-[3-(difluoromethyl)phenyl]-2-oxo-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide;(3S)-N-(2,3-difluorophenyl)-4-(4-fluorophenyl)-1-methyl-2-oxopiperidine-3-carboxamide;(3R)-4-(4-fluorophenyl)-N-(2-methylphenyl)-2-oxopiperidine-3-carboxamide
CID 157240963
(3R,4S)-N-(2,3-difluorophenyl)-4-(1-methylindol-6-yl)-2-oxopyrrolidine-3-carboxamide
CID 134412150
(3R,4S)-4-[5-(difluoromethyl)thiophen-3-yl]-N-(2,3-difluorophenyl)-2-oxopyrrolidine-3-carboxamide
CID 134412038
N-(2-methylphenyl)-2-oxo-4-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 142445131
(3R,4S)-N-(2,3-difluorophenyl)-2-oxo-4-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidine-3-carboxamide
CID 134412253
(3R,4R)-N-(2,3-difluorophenyl)-2-oxo-4-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxamide
CID 134412252
(3R,4R)-4-(5-tert-butyl-1-methylpyrazol-3-yl)-N-(2,3-difluorophenyl)-2-oxopyrrolidine-3-carboxamide
CID 134412705
(3R,4R)-N-(2,3-difluorophenyl)-4-(3-methoxy-5-methylphenyl)-1-methyl-2-oxopyrrolidine-3-carboxamide
CID 134412693

Frequently Asked Questions

What is the IUPAC name of N-(2,3-difluorophenyl)-4-(3-methylphenyl)-2-oxopiperidine-3-carboxamide?
The IUPAC name of N-(2,3-difluorophenyl)-4-(3-methylphenyl)-2-oxopiperidine-3-carboxamide (CID 158374692) is N-(2,3-difluorophenyl)-4-(3-methylphenyl)-2-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-(2,3-difluorophenyl)-4-(3-methylphenyl)-2-oxopiperidine-3-carboxamide?
The canonical SMILES for N-(2,3-difluorophenyl)-4-(3-methylphenyl)-2-oxopiperidine-3-carboxamide is Cc1cccc(C2CCNC(=O)C2C(=O)Nc2cccc(F)c2F)c1.
What is the InChIKey of N-(2,3-difluorophenyl)-4-(3-methylphenyl)-2-oxopiperidine-3-carboxamide?
The InChIKey is FKXLOWAZAOEVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N2O2/c1-11-4-2-5-12(10-11)13-8-9-22-18(24)16(13)19(25)23-15-7-3-6-14(20)17(15)21/h2-7,10,13,16H,8-9H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N-(2,3-difluorophenyl)-4-(3-methylphenyl)-2-oxopiperidine-3-carboxamide?
N-(2,3-difluorophenyl)-4-(3-methylphenyl)-2-oxopiperidine-3-carboxamide has a molecular weight of 344.36 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-difluorophenyl)-4-(3-methylphenyl)-2-oxopiperidine-3-carboxamide is sourced from PubChem (CID 158374692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).