2-chloro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzamide

C16H13ClF3NO2 — CID 56764204

IUPAC2-chloro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzamide
SMILESO=C(NCC(O)(c1ccccc1)C(F)(F)F)c1ccccc1Cl
InChIInChI=1S/C16H13ClF3NO2/c17-13-9-5-4-8-12(13)14(22)21-10-15(23,16(18,19)20)11-6-2-1-3-7-11/h1-9,23H,10H2,(H,21,22)
InChIKeyJAAVBIWFWUZRLF-UHFFFAOYSA-N
MW343.73 g/mol
LogP3.52
Rot. Bonds4

About 2-chloro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzamide

2-chloro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzamide (PubChem CID 56764204) has the molecular formula C16H13ClF3NO2 and a molecular weight of 343.73 g/mol. Its IUPAC name is 2-chloro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzamide
PubChem CID56764204
Molecular FormulaC16H13ClF3NO2
Molecular Weight343.73 g/mol
Exact Mass343.06
IUPAC Name2-chloro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzamide
SMILESO=C(NCC(O)(c1ccccc1)C(F)(F)F)c1ccccc1Cl
InChIInChI=1S/C16H13ClF3NO2/c17-13-9-5-4-8-12(13)14(22)21-10-15(23,16(18,19)20)11-6-2-1-3-7-11/h1-9,23H,10H2,(H,21,22)
InChIKeyJAAVBIWFWUZRLF-UHFFFAOYSA-N
XLogP3.52
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.73
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-chloro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)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

4'-Chloro-3'-[[[(1-hydroxycycloheptyl)methyl]amino]carbonyl]-[1,1'-biphenyl]-2-carboxylic acid
CID 11531460
N-phenethyl-4-(2,2,2-trifluoro-1-hydroxy-1-trifluoromethylethyl)benzamide
CID 11610826
N-{2-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-ethyl}-4-fluoro-benzamide
CID 13900361
4-[[(4-Tert-butylbenzoyl)amino]methyl]-3-chlorobenzoic acid
CID 137641372
4-[[(4-Tert-butylbenzoyl)amino]methyl]-2-chlorobenzoic acid
CID 137644141
2'-(2-Chloro-benzylcarbamoyl)-biphenyl-2-carboxylic acid
CID 1431344
4-[2-[(3-Chlorobenzoyl)amino]ethyl]benzoic acid
CID 43233744
[3,5-Bis(trifluoromethyl)phenyl]-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]methanone
CID 2809531
N-[2-(Benzyloxy)ethyl]-2-chloro-4,5-difluorobenzamide
CID 4642908
2,6-difluoro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzamide
CID 56764205
3,4-difluoro-N-(2-hydroxy-2-phenylpropyl)benzamide
CID 56765346
N-(2-hydroxy-2-phenylpropyl)-3-(trifluoromethyl)benzamide
CID 56765361

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzamide?
The IUPAC name of 2-chloro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzamide (CID 56764204) is 2-chloro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzamide.
What is the SMILES notation for 2-chloro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzamide?
The canonical SMILES for 2-chloro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzamide is O=C(NCC(O)(c1ccccc1)C(F)(F)F)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzamide?
The InChIKey is JAAVBIWFWUZRLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF3NO2/c17-13-9-5-4-8-12(13)14(22)21-10-15(23,16(18,19)20)11-6-2-1-3-7-11/h1-9,23H,10H2,(H,21,22).
What are the key properties of 2-chloro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzamide?
2-chloro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzamide has a molecular weight of 343.73 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzamide is sourced from PubChem (CID 56764204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).