N-[(1R,2S)-1-hydroxy-1-[4-(trifluoromethyl)phenyl]propan-2-yl]benzamide

C17H16F3NO2 — CID 135065542

IUPACN-[(1R,2S)-1-hydroxy-1-[4-(trifluoromethyl)phenyl]propan-2-yl]benzamide
SMILESC[C@H](NC(=O)c1ccccc1)[C@H](O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H16F3NO2/c1-11(21-16(23)13-5-3-2-4-6-13)15(22)12-7-9-14(10-8-12)17(18,19)20/h2-11,15,22H,1H3,(H,21,23)/t11-,15-/m0/s1
InChIKeyMUGHPAXVZKBVFW-NHYWBVRUSA-N
MW323.31 g/mol
LogP3.56
Rot. Bonds4

About N-[(1R,2S)-1-hydroxy-1-[4-(trifluoromethyl)phenyl]propan-2-yl]benzamide

N-[(1R,2S)-1-hydroxy-1-[4-(trifluoromethyl)phenyl]propan-2-yl]benzamide (PubChem CID 135065542) has the molecular formula C17H16F3NO2 and a molecular weight of 323.31 g/mol. Its IUPAC name is N-[(1R,2S)-1-hydroxy-1-[4-(trifluoromethyl)phenyl]propan-2-yl]benzamide.

Molecular Properties

Compound NameN-[(1R,2S)-1-hydroxy-1-[4-(trifluoromethyl)phenyl]propan-2-yl]benzamide
PubChem CID135065542
Molecular FormulaC17H16F3NO2
Molecular Weight323.31 g/mol
Exact Mass323.11
IUPAC NameN-[(1R,2S)-1-hydroxy-1-[4-(trifluoromethyl)phenyl]propan-2-yl]benzamide
SMILESC[C@H](NC(=O)c1ccccc1)[C@H](O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H16F3NO2/c1-11(21-16(23)13-5-3-2-4-6-13)15(22)12-7-9-14(10-8-12)17(18,19)20/h2-11,15,22H,1H3,(H,21,23)/t11-,15-/m0/s1
InChIKeyMUGHPAXVZKBVFW-NHYWBVRUSA-N
XLogP3.56
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 ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-benzoyl-N-(1-hydroxy-1-phenylpropan-2-yl)benzamide
CID 154861680
N'-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]benzohydrazide
CID 146167409
3-chloro-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]benzamide
CID 40648027
methyl 3-benzamido-3-[4-(trifluoromethyl)phenyl]propanoate
CID 18797714
N-[(1-methylpyrrol-2-yl)-[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 101433345
3-hydroxy-2-[[4-(trifluoromethyl)benzoyl]amino]butanoic acid
CID 24707245
3,3,3-trifluoro-N-(1-hydroxy-1-phenylpropan-2-yl)-2-oxopropanamide
CID 19783022
(1R,2S,4S,5R)-1,5-dihydroxy-2,4-dimethyl-1,5-bis[4-(trifluoromethyl)phenyl]pentan-3-one
CID 177451871
N-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide
CID 155435154
N-[(1S,2S)-1-hydroxy-1-[4-(trifluoromethyl)phenyl]butan-2-yl]pyridine-4-carboxamide
CID 97237273
N-but-3-yn-2-yl-4-(trifluoromethyl)benzamide
CID 114390042
[(1R,2S)-1-[3,5-bis(trifluoromethyl)phenyl]-1-hydroxypropan-2-yl]carbamic acid
CID 87638740

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-1-hydroxy-1-[4-(trifluoromethyl)phenyl]propan-2-yl]benzamide?
The IUPAC name of N-[(1R,2S)-1-hydroxy-1-[4-(trifluoromethyl)phenyl]propan-2-yl]benzamide (CID 135065542) is N-[(1R,2S)-1-hydroxy-1-[4-(trifluoromethyl)phenyl]propan-2-yl]benzamide.
What is the SMILES notation for N-[(1R,2S)-1-hydroxy-1-[4-(trifluoromethyl)phenyl]propan-2-yl]benzamide?
The canonical SMILES for N-[(1R,2S)-1-hydroxy-1-[4-(trifluoromethyl)phenyl]propan-2-yl]benzamide is C[C@H](NC(=O)c1ccccc1)[C@H](O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[(1R,2S)-1-hydroxy-1-[4-(trifluoromethyl)phenyl]propan-2-yl]benzamide?
The InChIKey is MUGHPAXVZKBVFW-NHYWBVRUSA-N. The full InChI is InChI=1S/C17H16F3NO2/c1-11(21-16(23)13-5-3-2-4-6-13)15(22)12-7-9-14(10-8-12)17(18,19)20/h2-11,15,22H,1H3,(H,21,23)/t11-,15-/m0/s1.
What are the key properties of N-[(1R,2S)-1-hydroxy-1-[4-(trifluoromethyl)phenyl]propan-2-yl]benzamide?
N-[(1R,2S)-1-hydroxy-1-[4-(trifluoromethyl)phenyl]propan-2-yl]benzamide has a molecular weight of 323.31 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-1-hydroxy-1-[4-(trifluoromethyl)phenyl]propan-2-yl]benzamide is sourced from PubChem (CID 135065542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).