4-bromo-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzamide

C14H15BrF3NO2 — CID 90554727

IUPAC4-bromo-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzamide
SMILESO=C(c1ccc(Br)cc1)N(CC(F)(F)F)C1CCOCC1
InChIInChI=1S/C14H15BrF3NO2/c15-11-3-1-10(2-4-11)13(20)19(9-14(16,17)18)12-5-7-21-8-6-12/h1-4,12H,5-9H2
InChIKeyIGWYXDROHKVREH-UHFFFAOYSA-N
MW366.18 g/mol
LogP3.63
Rot. Bonds3

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

4-bromo-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 90554727) has the molecular formula C14H15BrF3NO2 and a molecular weight of 366.18 g/mol. Its IUPAC name is 4-bromo-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID90554727
Molecular FormulaC14H15BrF3NO2
Molecular Weight366.18 g/mol
Exact Mass365.02
IUPAC Name4-bromo-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzamide
SMILESO=C(c1ccc(Br)cc1)N(CC(F)(F)F)C1CCOCC1
InChIInChI=1S/C14H15BrF3NO2/c15-11-3-1-10(2-4-11)13(20)19(9-14(16,17)18)12-5-7-21-8-6-12/h1-4,12H,5-9H2
InChIKeyIGWYXDROHKVREH-UHFFFAOYSA-N
XLogP3.63
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.18
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-butyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzamide
CID 90554705
N-(oxan-4-yl)-4-phenyl-N-(2,2,2-trifluoroethyl)benzamide
CID 90554748
N-(oxan-4-yl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide
CID 90554644
N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)-2,1,3-benzothiadiazole-5-carboxamide
CID 71796138
N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzamide
CID 61410101
2-fluoro-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzamide
CID 90554720
4-bromo-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)benzamide
CID 90610690
5-methyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)-1,2-oxazole-3-carboxamide
CID 71796132
N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)-1-benzofuran-2-carboxamide
CID 71796118
4-bromo-N-(2-chloroethyl)-N-cyclopentylbenzamide
CID 63391545
4-(methoxymethyl)-N-[(3R)-oxan-3-yl]-N-(2,2,2-trifluoroethyl)benzamide
CID 97051798
5-(furan-2-yl)-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)-1,2-oxazole-3-carboxamide
CID 71796090

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 4-bromo-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzamide (CID 90554727) is 4-bromo-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 4-bromo-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 4-bromo-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzamide is O=C(c1ccc(Br)cc1)N(CC(F)(F)F)C1CCOCC1.
What is the InChIKey of 4-bromo-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is IGWYXDROHKVREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrF3NO2/c15-11-3-1-10(2-4-11)13(20)19(9-14(16,17)18)12-5-7-21-8-6-12/h1-4,12H,5-9H2.
What are the key properties of 4-bromo-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzamide?
4-bromo-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 366.18 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 90554727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).