N-[(2S)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]benzamide

C16H14F3NO2 — CID 95760905

IUPACN-[(2S)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]benzamide
SMILESO=C(NC[C@@H](O)c1cccc(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C16H14F3NO2/c17-16(18,19)13-8-4-7-12(9-13)14(21)10-20-15(22)11-5-2-1-3-6-11/h1-9,14,21H,10H2,(H,20,22)/t14-/m1/s1
InChIKeyKARVDXAMHARHRM-CQSZACIVSA-N
MW309.29 g/mol
LogP3.17
Rot. Bonds4

About N-[(2S)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]benzamide

N-[(2S)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]benzamide (PubChem CID 95760905) has the molecular formula C16H14F3NO2 and a molecular weight of 309.29 g/mol. Its IUPAC name is N-[(2S)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]benzamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]benzamide
PubChem CID95760905
Molecular FormulaC16H14F3NO2
Molecular Weight309.29 g/mol
Exact Mass309.10
IUPAC NameN-[(2S)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]benzamide
SMILESO=C(NC[C@@H](O)c1cccc(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C16H14F3NO2/c17-16(18,19)13-8-4-7-12(9-13)14(21)10-20-15(22)11-5-2-1-3-6-11/h1-9,14,21H,10H2,(H,20,22)/t14-/m1/s1
InChIKeyKARVDXAMHARHRM-CQSZACIVSA-N
XLogP3.17
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.29
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 852848
2-(Benzylamino)-1-[3-(trifluoromethyl)phenyl]ethan-1-ol
CID 23647917
N-(2-hydroxy-2-phenylethyl)benzamide
CID 458553
2-[({2-Hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl}amino)methyl]benzoic acid
CID 23647919
N-benzhydryl-4-(hydroxymethyl)benzamide
CID 2451102
2-[(2-Hydroxy-2-phenylethyl)carbamoyl]benzoic acid
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CID 5079333
N-benzyl-2-(hydroxymethyl)benzamide
CID 826787
N-[2-[[(1S,2S)-3-[(2,4-dimethylphenyl)methylamino]-1-hydroxy-1-phenylpropan-2-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 10186010
N-(3-(4-Carbomethoxyphenyl)propyl)-2-hydroxy-2-(3-trifluoromethylphenyl)ethanamine
CID 20501352
(E)-3-[3-[3-(hydroxymethyl)phenyl]-5-(2-phenylethylcarbamoyl)phenyl]prop-2-enoic acid
CID 135304832
4-[(4-Trifluoromethyl-benzoylamino)-methyl]-benzoic acid
CID 729657

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]benzamide?
The IUPAC name of N-[(2S)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]benzamide (CID 95760905) is N-[(2S)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]benzamide.
What is the SMILES notation for N-[(2S)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]benzamide?
The canonical SMILES for N-[(2S)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]benzamide is O=C(NC[C@@H](O)c1cccc(C(F)(F)F)c1)c1ccccc1.
What is the InChIKey of N-[(2S)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]benzamide?
The InChIKey is KARVDXAMHARHRM-CQSZACIVSA-N. The full InChI is InChI=1S/C16H14F3NO2/c17-16(18,19)13-8-4-7-12(9-13)14(21)10-20-15(22)11-5-2-1-3-6-11/h1-9,14,21H,10H2,(H,20,22)/t14-/m1/s1.
What are the key properties of N-[(2S)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]benzamide?
N-[(2S)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]benzamide has a molecular weight of 309.29 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]benzamide is sourced from PubChem (CID 95760905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).