3-cyano-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide

C17H13F3N2O2 — CID 56765428

IUPAC3-cyano-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
SMILESN#Cc1cccc(C(=O)NCC(O)c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C17H13F3N2O2/c18-17(19,20)14-6-4-12(5-7-14)15(23)10-22-16(24)13-3-1-2-11(8-13)9-21/h1-8,15,23H,10H2,(H,22,24)
InChIKeyLBVNVMBKUXKEGV-UHFFFAOYSA-N
MW334.30 g/mol
LogP3.04
Rot. Bonds4

About 3-cyano-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide

3-cyano-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide (PubChem CID 56765428) has the molecular formula C17H13F3N2O2 and a molecular weight of 334.30 g/mol. Its IUPAC name is 3-cyano-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
PubChem CID56765428
Molecular FormulaC17H13F3N2O2
Molecular Weight334.30 g/mol
Exact Mass334.09
IUPAC Name3-cyano-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
SMILESN#Cc1cccc(C(=O)NCC(O)c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C17H13F3N2O2/c18-17(19,20)14-6-4-12(5-7-14)15(23)10-22-16(24)13-3-1-2-11(8-13)9-21/h1-8,15,23H,10H2,(H,22,24)
InChIKeyLBVNVMBKUXKEGV-UHFFFAOYSA-N
XLogP3.04
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.30
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-cyano-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]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-cyano-N-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]benzamide
CID 51941970
3-cyano-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]benzamide
CID 90613283
3-cyano-N-(2-hydroxy-2-thiophen-2-ylethyl)benzamide
CID 90499972
N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]-3-(trifluoromethyl)benzamide
CID 8961150
3-cyano-N-[3-(4-fluorophenyl)-3-hydroxypropyl]benzamide
CID 110665732
N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3,5-dimethoxybenzamide
CID 90534721
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide
CID 110889483
3-cyano-N-(2-hydroxy-3-phenylpropyl)benzamide
CID 56765259
3-cyano-N-(3-hydroxy-3-phenylpropyl)benzamide
CID 90499508
3-cyano-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102906072
N-(2-bromopropyl)-3-cyanobenzamide
CID 114308516
3-cyano-N-(2-cyclopropyl-2-hydroxyethyl)benzamide
CID 63294478

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide?
The IUPAC name of 3-cyano-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide (CID 56765428) is 3-cyano-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide.
What is the SMILES notation for 3-cyano-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide?
The canonical SMILES for 3-cyano-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide is N#Cc1cccc(C(=O)NCC(O)c2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of 3-cyano-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide?
The InChIKey is LBVNVMBKUXKEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O2/c18-17(19,20)14-6-4-12(5-7-14)15(23)10-22-16(24)13-3-1-2-11(8-13)9-21/h1-8,15,23H,10H2,(H,22,24).
What are the key properties of 3-cyano-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide?
3-cyano-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide has a molecular weight of 334.30 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide is sourced from PubChem (CID 56765428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).