N-[(1S)-2-hydroxy-1-phenylethyl]-3-(trifluoromethoxy)benzamide

C16H14F3NO3 — CID 110001668

IUPACN-[(1S)-2-hydroxy-1-phenylethyl]-3-(trifluoromethoxy)benzamide
SMILESO=C(N[C@H](CO)c1ccccc1)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C16H14F3NO3/c17-16(18,19)23-13-8-4-7-12(9-13)15(22)20-14(10-21)11-5-2-1-3-6-11/h1-9,14,21H,10H2,(H,20,22)/t14-/m1/s1
InChIKeyDITFGOXRENETRD-CQSZACIVSA-N
MW325.29 g/mol
LogP3.05
Rot. Bonds5

About N-[(1S)-2-hydroxy-1-phenylethyl]-3-(trifluoromethoxy)benzamide

N-[(1S)-2-hydroxy-1-phenylethyl]-3-(trifluoromethoxy)benzamide (PubChem CID 110001668) has the molecular formula C16H14F3NO3 and a molecular weight of 325.29 g/mol. Its IUPAC name is N-[(1S)-2-hydroxy-1-phenylethyl]-3-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[(1S)-2-hydroxy-1-phenylethyl]-3-(trifluoromethoxy)benzamide
PubChem CID110001668
Molecular FormulaC16H14F3NO3
Molecular Weight325.29 g/mol
Exact Mass325.09
IUPAC NameN-[(1S)-2-hydroxy-1-phenylethyl]-3-(trifluoromethoxy)benzamide
SMILESO=C(N[C@H](CO)c1ccccc1)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C16H14F3NO3/c17-16(18,19)23-13-8-4-7-12(9-13)15(22)20-14(10-21)11-5-2-1-3-6-11/h1-9,14,21H,10H2,(H,20,22)/t14-/m1/s1
InChIKeyDITFGOXRENETRD-CQSZACIVSA-N
XLogP3.05
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(1S)-2-hydroxy-1-phenylethyl]-3-(trifluoromethoxy)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(difluoromethoxy)-N-(2-hydroxy-1-phenylethyl)benzamide
CID 110931053
1-N,3-N-bis[(1S)-2-hydroxy-1-phenylethyl]benzene-1,3-dicarboxamide
CID 71413066
(2R)-2-[[3-(trifluoromethoxy)benzoyl]amino]propanoic acid
CID 120526943
(2S)-2-[[3-(trifluoromethoxy)benzoyl]amino]propanoic acid
CID 120525960
N-(2-hydroxy-1-phenylethyl)benzamide
CID 14150746
N-[(1S)-2-hydroxy-1-phenylethyl]-3-(2-methylprop-2-enoxy)benzamide
CID 46984256
N-(2-hydroxy-1-phenylethyl)benzamide;hydrochloride
CID 175746997
1-N,3-N,5-N-tris(2-hydroxy-1-phenylethyl)benzene-1,3,5-tricarboxamide
CID 139248401
3,4-dihydroxy-N-(2-hydroxy-1-phenylethyl)benzamide
CID 103958252
N-benzyl-3-(trifluoromethoxy)benzamide
CID 175307745
N-[(1R)-2-hydroxy-1-naphthalen-2-ylethyl]benzamide
CID 58633293
3,4,5-trifluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 103772740

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-hydroxy-1-phenylethyl]-3-(trifluoromethoxy)benzamide?
The IUPAC name of N-[(1S)-2-hydroxy-1-phenylethyl]-3-(trifluoromethoxy)benzamide (CID 110001668) is N-[(1S)-2-hydroxy-1-phenylethyl]-3-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[(1S)-2-hydroxy-1-phenylethyl]-3-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[(1S)-2-hydroxy-1-phenylethyl]-3-(trifluoromethoxy)benzamide is O=C(N[C@H](CO)c1ccccc1)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of N-[(1S)-2-hydroxy-1-phenylethyl]-3-(trifluoromethoxy)benzamide?
The InChIKey is DITFGOXRENETRD-CQSZACIVSA-N. The full InChI is InChI=1S/C16H14F3NO3/c17-16(18,19)23-13-8-4-7-12(9-13)15(22)20-14(10-21)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-[(1S)-2-hydroxy-1-phenylethyl]-3-(trifluoromethoxy)benzamide?
N-[(1S)-2-hydroxy-1-phenylethyl]-3-(trifluoromethoxy)benzamide has a molecular weight of 325.29 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-hydroxy-1-phenylethyl]-3-(trifluoromethoxy)benzamide is sourced from PubChem (CID 110001668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).