4-phenyl-3-(2,2,2-trifluoroethoxy)benzamide;hydrochloride

C15H13ClF3NO2 — CID 141118952

IUPAC4-phenyl-3-(2,2,2-trifluoroethoxy)benzamide;hydrochloride
SMILESCl.NC(=O)c1ccc(-c2ccccc2)c(OCC(F)(F)F)c1
InChIInChI=1S/C15H12F3NO2.ClH/c16-15(17,18)9-21-13-8-11(14(19)20)6-7-12(13)10-4-2-1-3-5-10;/h1-8H,9H2,(H2,19,20);1H
InChIKeyILFFBTJVTBYGKW-UHFFFAOYSA-N
MW331.72 g/mol
LogP3.82
Rot. Bonds4

About 4-phenyl-3-(2,2,2-trifluoroethoxy)benzamide;hydrochloride

4-phenyl-3-(2,2,2-trifluoroethoxy)benzamide;hydrochloride (PubChem CID 141118952) has the molecular formula C15H13ClF3NO2 and a molecular weight of 331.72 g/mol. Its IUPAC name is 4-phenyl-3-(2,2,2-trifluoroethoxy)benzamide;hydrochloride.

Molecular Properties

Compound Name4-phenyl-3-(2,2,2-trifluoroethoxy)benzamide;hydrochloride
PubChem CID141118952
Molecular FormulaC15H13ClF3NO2
Molecular Weight331.72 g/mol
Exact Mass331.06
IUPAC Name4-phenyl-3-(2,2,2-trifluoroethoxy)benzamide;hydrochloride
SMILESCl.NC(=O)c1ccc(-c2ccccc2)c(OCC(F)(F)F)c1
InChIInChI=1S/C15H12F3NO2.ClH/c16-15(17,18)9-21-13-8-11(14(19)20)6-7-12(13)10-4-2-1-3-5-10;/h1-8H,9H2,(H2,19,20);1H
InChIKeyILFFBTJVTBYGKW-UHFFFAOYSA-N
XLogP3.82
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.72
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenyl-2-(2,2,2-trifluoroethoxy)benzene
CID 86122224
2-(2,2,2-trifluoroethoxy)benzamide;hydrochloride
CID 160645363
3-(cyclopropylmethoxy)-4-(2,2,2-trifluoroethoxy)benzamide
CID 68981863
3-[4-(5-carbamoyl-2-phenylphenyl)phenyl]-4-phenylbenzamide
CID 141346150
4-phenyl-3-(trifluoromethylsulfonyloxy)benzoic acid
CID 91609871
3-tert-butyl-4-phenylbenzamide
CID 18779086
4-methoxy-3-(2,2,2-trifluoroethoxy)benzoic acid
CID 22707049
3-benzoyloxy-4-phenylbenzoic acid
CID 19859975
6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;hydrochloride
CID 165153609
4-bromo-3-(2,2,2-trifluoroethoxy)benzoic acid
CID 59581703
(5-methoxy-2-phenylphenyl) carbamate
CID 121375018
2-(2,2,2-trifluoroethoxy)benzoic acid
CID 11528644

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-3-(2,2,2-trifluoroethoxy)benzamide;hydrochloride?
The IUPAC name of 4-phenyl-3-(2,2,2-trifluoroethoxy)benzamide;hydrochloride (CID 141118952) is 4-phenyl-3-(2,2,2-trifluoroethoxy)benzamide;hydrochloride.
What is the SMILES notation for 4-phenyl-3-(2,2,2-trifluoroethoxy)benzamide;hydrochloride?
The canonical SMILES for 4-phenyl-3-(2,2,2-trifluoroethoxy)benzamide;hydrochloride is Cl.NC(=O)c1ccc(-c2ccccc2)c(OCC(F)(F)F)c1.
What is the InChIKey of 4-phenyl-3-(2,2,2-trifluoroethoxy)benzamide;hydrochloride?
The InChIKey is ILFFBTJVTBYGKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO2.ClH/c16-15(17,18)9-21-13-8-11(14(19)20)6-7-12(13)10-4-2-1-3-5-10;/h1-8H,9H2,(H2,19,20);1H.
What are the key properties of 4-phenyl-3-(2,2,2-trifluoroethoxy)benzamide;hydrochloride?
4-phenyl-3-(2,2,2-trifluoroethoxy)benzamide;hydrochloride has a molecular weight of 331.72 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-3-(2,2,2-trifluoroethoxy)benzamide;hydrochloride is sourced from PubChem (CID 141118952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).