N-[(2R)-2-hydroxy-2-phenylpropyl]-3-(trifluoromethyl)benzamide

C17H16F3NO2 — CID 95368012

IUPACN-[(2R)-2-hydroxy-2-phenylpropyl]-3-(trifluoromethyl)benzamide
SMILESC[C@](O)(CNC(=O)c1cccc(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C17H16F3NO2/c1-16(23,13-7-3-2-4-8-13)11-21-15(22)12-6-5-9-14(10-12)17(18,19)20/h2-10,23H,11H2,1H3,(H,21,22)/t16-/m0/s1
InChIKeyPJPMKYUTMFJTGL-INIZCTEOSA-N
MW323.31 g/mol
LogP3.34
Rot. Bonds4

About N-[(2R)-2-hydroxy-2-phenylpropyl]-3-(trifluoromethyl)benzamide

N-[(2R)-2-hydroxy-2-phenylpropyl]-3-(trifluoromethyl)benzamide (PubChem CID 95368012) has the molecular formula C17H16F3NO2 and a molecular weight of 323.31 g/mol. Its IUPAC name is N-[(2R)-2-hydroxy-2-phenylpropyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxy-2-phenylpropyl]-3-(trifluoromethyl)benzamide
PubChem CID95368012
Molecular FormulaC17H16F3NO2
Molecular Weight323.31 g/mol
Exact Mass323.11
IUPAC NameN-[(2R)-2-hydroxy-2-phenylpropyl]-3-(trifluoromethyl)benzamide
SMILESC[C@](O)(CNC(=O)c1cccc(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C17H16F3NO2/c1-16(23,13-7-3-2-4-8-13)11-21-15(22)12-6-5-9-14(10-12)17(18,19)20/h2-10,23H,11H2,1H3,(H,21,22)/t16-/m0/s1
InChIKeyPJPMKYUTMFJTGL-INIZCTEOSA-N
XLogP3.34
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.31
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-2-methyl-3-[[3-(trifluoromethyl)benzoyl]amino]propanoic acid
CID 66171794
3-acetamido-N-(2-hydroxy-2-phenylpropyl)benzamide
CID 110663941
N-(3-hydroxy-3-methylbutyl)-3-(trifluoromethyl)benzamide
CID 91445268
3,4-difluoro-N-[(2S)-2-hydroxy-2-phenylpropyl]benzamide
CID 95367981
N-(2-oxopropyl)-3-(trifluoromethyl)benzamide
CID 64997394
N-(2-hydroxy-2-phenylpropyl)-3,5-dimethylbenzamide
CID 111334967
N-(2-hydroxy-2-phenylpropyl)-3-(methylsulfinylmethyl)benzamide
CID 111334878
3,4-dichloro-N-(2-hydroxy-2-phenylpropyl)benzamide
CID 121111944
N-[(2R)-2-phenylpropyl]-3-(trifluoromethyl)benzamide
CID 8912081
N-(2-hydroxy-2-phenylpropyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 121112072
N-[(2S)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-3-(trifluoromethyl)benzamide
CID 99872611
N-(2-hydroxy-2-phenylpropyl)-4-methylbenzamide
CID 110663962

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxy-2-phenylpropyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[(2R)-2-hydroxy-2-phenylpropyl]-3-(trifluoromethyl)benzamide (CID 95368012) is N-[(2R)-2-hydroxy-2-phenylpropyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(2R)-2-hydroxy-2-phenylpropyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(2R)-2-hydroxy-2-phenylpropyl]-3-(trifluoromethyl)benzamide is C[C@](O)(CNC(=O)c1cccc(C(F)(F)F)c1)c1ccccc1.
What is the InChIKey of N-[(2R)-2-hydroxy-2-phenylpropyl]-3-(trifluoromethyl)benzamide?
The InChIKey is PJPMKYUTMFJTGL-INIZCTEOSA-N. The full InChI is InChI=1S/C17H16F3NO2/c1-16(23,13-7-3-2-4-8-13)11-21-15(22)12-6-5-9-14(10-12)17(18,19)20/h2-10,23H,11H2,1H3,(H,21,22)/t16-/m0/s1.
What are the key properties of N-[(2R)-2-hydroxy-2-phenylpropyl]-3-(trifluoromethyl)benzamide?
N-[(2R)-2-hydroxy-2-phenylpropyl]-3-(trifluoromethyl)benzamide has a molecular weight of 323.31 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxy-2-phenylpropyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 95368012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).