N-[4-chloro-2-(trifluoromethyl)phenyl]-2-oxopiperidine-4-carboxamide

C13H12ClF3N2O2 — CID 110682207

IUPACN-[4-chloro-2-(trifluoromethyl)phenyl]-2-oxopiperidine-4-carboxamide
SMILESO=C1CC(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)CCN1
InChIInChI=1S/C13H12ClF3N2O2/c14-8-1-2-10(9(6-8)13(15,16)17)19-12(21)7-3-4-18-11(20)5-7/h1-2,6-7H,3-5H2,(H,18,20)(H,19,21)
InChIKeyLICZDNGQSIRAHR-UHFFFAOYSA-N
MW320.70 g/mol
LogP2.82
Rot. Bonds2

About N-[4-chloro-2-(trifluoromethyl)phenyl]-2-oxopiperidine-4-carboxamide

N-[4-chloro-2-(trifluoromethyl)phenyl]-2-oxopiperidine-4-carboxamide (PubChem CID 110682207) has the molecular formula C13H12ClF3N2O2 and a molecular weight of 320.70 g/mol. Its IUPAC name is N-[4-chloro-2-(trifluoromethyl)phenyl]-2-oxopiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-2-(trifluoromethyl)phenyl]-2-oxopiperidine-4-carboxamide
PubChem CID110682207
Molecular FormulaC13H12ClF3N2O2
Molecular Weight320.70 g/mol
Exact Mass320.05
IUPAC NameN-[4-chloro-2-(trifluoromethyl)phenyl]-2-oxopiperidine-4-carboxamide
SMILESO=C1CC(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)CCN1
InChIInChI=1S/C13H12ClF3N2O2/c14-8-1-2-10(9(6-8)13(15,16)17)19-12(21)7-3-4-18-11(20)5-7/h1-2,6-7H,3-5H2,(H,18,20)(H,19,21)
InChIKeyLICZDNGQSIRAHR-UHFFFAOYSA-N
XLogP2.82
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.70
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chloro-2-methylphenyl)-2-oxopiperidine-4-carboxamide
CID 110682146
1-N-[4-chloro-2-(trifluoromethyl)phenyl]-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
CID 109144626
N-[4-chloro-2-(trifluoromethyl)phenyl]-5-oxomorpholine-3-carboxamide
CID 110696868
N-[4-chloro-2-(trifluoromethyl)phenyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
CID 113008466
N-[4-cyano-2-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 83192689
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-methylpiperidine-2-carboxamide
CID 107067123
N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]cyclopropanecarboxamide
CID 110687206
N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(4-fluorophenyl)pyrazolidine-3-carboxamide
CID 75085786
N-[4-chloro-2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
CID 113200877
N-(4-chloro-2-iodophenyl)-5-oxopyrrolidine-3-carboxamide
CID 103766910
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(cyclopropylmethyl)urea
CID 3867881
(3R)-N-[4-chloro-2-(trifluoromethyl)phenyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 51933901

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-oxopiperidine-4-carboxamide?
The IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-oxopiperidine-4-carboxamide (CID 110682207) is N-[4-chloro-2-(trifluoromethyl)phenyl]-2-oxopiperidine-4-carboxamide.
What is the SMILES notation for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-oxopiperidine-4-carboxamide?
The canonical SMILES for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-oxopiperidine-4-carboxamide is O=C1CC(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)CCN1.
What is the InChIKey of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-oxopiperidine-4-carboxamide?
The InChIKey is LICZDNGQSIRAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClF3N2O2/c14-8-1-2-10(9(6-8)13(15,16)17)19-12(21)7-3-4-18-11(20)5-7/h1-2,6-7H,3-5H2,(H,18,20)(H,19,21).
What are the key properties of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-oxopiperidine-4-carboxamide?
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-oxopiperidine-4-carboxamide has a molecular weight of 320.70 g/mol, XLogP of 2.82, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-oxopiperidine-4-carboxamide is sourced from PubChem (CID 110682207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).