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

C14H15ClF3NO2 — CID 71796096

IUPAC3-chloro-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzamide
SMILESO=C(c1cccc(Cl)c1)N(CC(F)(F)F)C1CCOCC1
InChIInChI=1S/C14H15ClF3NO2/c15-11-3-1-2-10(8-11)13(20)19(9-14(16,17)18)12-4-6-21-7-5-12/h1-3,8,12H,4-7,9H2
InChIKeyBNALEVJNBGDASD-UHFFFAOYSA-N
MW321.73 g/mol
LogP3.52
Rot. Bonds3

About 3-chloro-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzamide

3-chloro-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 71796096) has the molecular formula C14H15ClF3NO2 and a molecular weight of 321.73 g/mol. Its IUPAC name is 3-chloro-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name3-chloro-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID71796096
Molecular FormulaC14H15ClF3NO2
Molecular Weight321.73 g/mol
Exact Mass321.07
IUPAC Name3-chloro-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzamide
SMILESO=C(c1cccc(Cl)c1)N(CC(F)(F)F)C1CCOCC1
InChIInChI=1S/C14H15ClF3NO2/c15-11-3-1-2-10(8-11)13(20)19(9-14(16,17)18)12-4-6-21-7-5-12/h1-3,8,12H,4-7,9H2
InChIKeyBNALEVJNBGDASD-UHFFFAOYSA-N
XLogP3.52
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.73
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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3-chloro-4-fluoro-N-propyl-N-(tetrahydro-3-furanylmethyl)benzamide
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5-Chloro-2-fluoro-N-[(oxolan-3-YL)methyl]-N-propylbenzamide
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2-Chloro-6-fluoro-N-methyl-N-[(oxan-4-YL)methyl]benzamide
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(4-Chloro-phenyl)-[1,3]oxazinan-3-yl-methanone
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Ethyl 1-(3-chloro-4-fluorobenzoyl)-3-methylpiperidine-3-carboxylate
CID 46942516

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 3-chloro-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzamide (CID 71796096) is 3-chloro-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 3-chloro-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 3-chloro-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzamide is O=C(c1cccc(Cl)c1)N(CC(F)(F)F)C1CCOCC1.
What is the InChIKey of 3-chloro-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is BNALEVJNBGDASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClF3NO2/c15-11-3-1-2-10(8-11)13(20)19(9-14(16,17)18)12-4-6-21-7-5-12/h1-3,8,12H,4-7,9H2.
What are the key properties of 3-chloro-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzamide?
3-chloro-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 321.73 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 71796096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).