2-chloro-3-fluoro-N-methyl-N-(4-oxocyclohexyl)benzamide

C14H15ClFNO2 — CID 81453111

IUPAC2-chloro-3-fluoro-N-methyl-N-(4-oxocyclohexyl)benzamide
SMILESCN(C(=O)c1cccc(F)c1Cl)C1CCC(=O)CC1
InChIInChI=1S/C14H15ClFNO2/c1-17(9-5-7-10(18)8-6-9)14(19)11-3-2-4-12(16)13(11)15/h2-4,9H,5-8H2,1H3
InChIKeyAXVWLEBTTHEVJU-UHFFFAOYSA-N
MW283.73 g/mol
LogP3.06
Rot. Bonds2

About 2-chloro-3-fluoro-N-methyl-N-(4-oxocyclohexyl)benzamide

2-chloro-3-fluoro-N-methyl-N-(4-oxocyclohexyl)benzamide (PubChem CID 81453111) has the molecular formula C14H15ClFNO2 and a molecular weight of 283.73 g/mol. Its IUPAC name is 2-chloro-3-fluoro-N-methyl-N-(4-oxocyclohexyl)benzamide.

Molecular Properties

Compound Name2-chloro-3-fluoro-N-methyl-N-(4-oxocyclohexyl)benzamide
PubChem CID81453111
Molecular FormulaC14H15ClFNO2
Molecular Weight283.73 g/mol
Exact Mass283.08
IUPAC Name2-chloro-3-fluoro-N-methyl-N-(4-oxocyclohexyl)benzamide
SMILESCN(C(=O)c1cccc(F)c1Cl)C1CCC(=O)CC1
InChIInChI=1S/C14H15ClFNO2/c1-17(9-5-7-10(18)8-6-9)14(19)11-3-2-4-12(16)13(11)15/h2-4,9H,5-8H2,1H3
InChIKeyAXVWLEBTTHEVJU-UHFFFAOYSA-N
XLogP3.06
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.73
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-difluoro-N-methyl-N-(4-oxocyclohexyl)benzamide
CID 79120460
2,5-difluoro-N-methyl-N-(4-oxocyclohexyl)benzamide
CID 79120708
2-chloro-3-fluoro-N,N-dimethylbenzamide
CID 57234037
4-chloro-2-hydroxy-N-methyl-N-(4-oxocyclohexyl)benzamide
CID 79120625
4-bromo-2-fluoro-N-methyl-N-(4-oxocyclohexyl)benzamide
CID 79120141
2-bromo-4-chloro-N-methyl-N-(4-oxocyclohexyl)benzamide
CID 114024487
N-cyclopropyl-3-fluoro-2-hydrazinyl-N-methylbenzamide
CID 62662193
2,3-difluoro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119444296
5-chloro-N-cyclobutyl-2-fluoro-N-methylbenzamide
CID 115649144
5-chloro-N-methyl-N-(4-oxocyclohexyl)furan-2-carboxamide
CID 106685019
N-cycloheptyl-3-fluoro-N-methyl-2-(methylamino)benzamide
CID 62661525
methyl 2-[(2-chloro-3-fluorobenzoyl)-cyclopentylamino]acetate
CID 80718193

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-fluoro-N-methyl-N-(4-oxocyclohexyl)benzamide?
The IUPAC name of 2-chloro-3-fluoro-N-methyl-N-(4-oxocyclohexyl)benzamide (CID 81453111) is 2-chloro-3-fluoro-N-methyl-N-(4-oxocyclohexyl)benzamide.
What is the SMILES notation for 2-chloro-3-fluoro-N-methyl-N-(4-oxocyclohexyl)benzamide?
The canonical SMILES for 2-chloro-3-fluoro-N-methyl-N-(4-oxocyclohexyl)benzamide is CN(C(=O)c1cccc(F)c1Cl)C1CCC(=O)CC1.
What is the InChIKey of 2-chloro-3-fluoro-N-methyl-N-(4-oxocyclohexyl)benzamide?
The InChIKey is AXVWLEBTTHEVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFNO2/c1-17(9-5-7-10(18)8-6-9)14(19)11-3-2-4-12(16)13(11)15/h2-4,9H,5-8H2,1H3.
What are the key properties of 2-chloro-3-fluoro-N-methyl-N-(4-oxocyclohexyl)benzamide?
2-chloro-3-fluoro-N-methyl-N-(4-oxocyclohexyl)benzamide has a molecular weight of 283.73 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-fluoro-N-methyl-N-(4-oxocyclohexyl)benzamide is sourced from PubChem (CID 81453111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).