2-chloro-6-fluoro-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzamide

C14H14ClF4NO2 — CID 71796098

IUPAC2-chloro-6-fluoro-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzamide
SMILESO=C(c1c(F)cccc1Cl)N(CC(F)(F)F)C1CCOCC1
InChIInChI=1S/C14H14ClF4NO2/c15-10-2-1-3-11(16)12(10)13(21)20(8-14(17,18)19)9-4-6-22-7-5-9/h1-3,9H,4-8H2
InChIKeyWTXBKARRERYGJP-UHFFFAOYSA-N
MW339.72 g/mol
LogP3.66
Rot. Bonds3

About 2-chloro-6-fluoro-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzamide

2-chloro-6-fluoro-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 71796098) has the molecular formula C14H14ClF4NO2 and a molecular weight of 339.72 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID71796098
Molecular FormulaC14H14ClF4NO2
Molecular Weight339.72 g/mol
Exact Mass339.06
IUPAC Name2-chloro-6-fluoro-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzamide
SMILESO=C(c1c(F)cccc1Cl)N(CC(F)(F)F)C1CCOCC1
InChIInChI=1S/C14H14ClF4NO2/c15-10-2-1-3-11(16)12(10)13(21)20(8-14(17,18)19)9-4-6-22-7-5-9/h1-3,9H,4-8H2
InChIKeyWTXBKARRERYGJP-UHFFFAOYSA-N
XLogP3.66
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.72
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-Chlorobenzoyl)-morpholine
CID 225451
8-(2-Chloro-4-fluorobenzoyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 6467102
1-(2-Chloro-4,5-difluorobenzoyl)piperidine
CID 744426
6-Chloro-2,3-difluoro-5-methylphenyl 2-methylpiperidyl ketone
CID 2872242
2,6-Dimethylpiperidyl 6-chloro-2,3-difluoro-5-methylphenyl ketone
CID 2872251
1-(2-Chloro-4,5-difluorobenzoyl)-2,6-dimethylpiperidine
CID 600139
1-(2-Chloro-4,5-difluorobenzoyl)-4-methylpiperidine
CID 623348
(2-Chloro-5,6-difluoro-3-methyl-phenyl)-morpholin-4-yl-methanone
CID 775598
Piperidine, 1-(2-chlorobenzoyl)-
CID 89665
4-(4-Chloro-2,3-difluorobenzoyl)morpholine
CID 1297149
2-Chloro-6-fluoro-N-methyl-N-[(oxan-4-YL)methyl]benzamide
CID 110752428
(2-Chlorophenyl)-[4-[3-(cyclobutylmethoxy)propyl]piperazin-1-yl]methanone
CID 155554941

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzamide (CID 71796098) is 2-chloro-6-fluoro-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzamide is O=C(c1c(F)cccc1Cl)N(CC(F)(F)F)C1CCOCC1.
What is the InChIKey of 2-chloro-6-fluoro-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is WTXBKARRERYGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClF4NO2/c15-10-2-1-3-11(16)12(10)13(21)20(8-14(17,18)19)9-4-6-22-7-5-9/h1-3,9H,4-8H2.
What are the key properties of 2-chloro-6-fluoro-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzamide?
2-chloro-6-fluoro-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 339.72 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 71796098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).