2-chloro-6-fluoro-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]benzamide

C16H12ClF4NO2 — CID 95376485

IUPAC2-chloro-6-fluoro-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]benzamide
SMILESO=C(NC[C@@](O)(c1ccccc1)C(F)(F)F)c1c(F)cccc1Cl
InChIInChI=1S/C16H12ClF4NO2/c17-11-7-4-8-12(18)13(11)14(23)22-9-15(24,16(19,20)21)10-5-2-1-3-6-10/h1-8,24H,9H2,(H,22,23)/t15-/m1/s1
InChIKeyXKGWAKDIBKBUNL-OAHLLOKOSA-N
MW361.72 g/mol
LogP3.66
Rot. Bonds4

About 2-chloro-6-fluoro-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]benzamide

2-chloro-6-fluoro-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]benzamide (PubChem CID 95376485) has the molecular formula C16H12ClF4NO2 and a molecular weight of 361.72 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]benzamide
PubChem CID95376485
Molecular FormulaC16H12ClF4NO2
Molecular Weight361.72 g/mol
Exact Mass361.05
IUPAC Name2-chloro-6-fluoro-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]benzamide
SMILESO=C(NC[C@@](O)(c1ccccc1)C(F)(F)F)c1c(F)cccc1Cl
InChIInChI=1S/C16H12ClF4NO2/c17-11-7-4-8-12(18)13(11)14(23)22-9-15(24,16(19,20)21)10-5-2-1-3-6-10/h1-8,24H,9H2,(H,22,23)/t15-/m1/s1
InChIKeyXKGWAKDIBKBUNL-OAHLLOKOSA-N
XLogP3.66
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.72
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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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
[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-chloro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzamide
CID 56764204
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
2-(2-chlorophenyl)-N-{2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl}acetamide
CID 56765440
2-chloro-6-fluoro-N-{2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl}benzamide
CID 56765442
2-chloro-6-fluoro-N-((1-hydroxy-2,3-dihydro-1H-inden-1-yl)methyl)benzamide
CID 71782144

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]benzamide (CID 95376485) is 2-chloro-6-fluoro-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]benzamide is O=C(NC[C@@](O)(c1ccccc1)C(F)(F)F)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-6-fluoro-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]benzamide?
The InChIKey is XKGWAKDIBKBUNL-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H12ClF4NO2/c17-11-7-4-8-12(18)13(11)14(23)22-9-15(24,16(19,20)21)10-5-2-1-3-6-10/h1-8,24H,9H2,(H,22,23)/t15-/m1/s1.
What are the key properties of 2-chloro-6-fluoro-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]benzamide?
2-chloro-6-fluoro-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]benzamide has a molecular weight of 361.72 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]benzamide is sourced from PubChem (CID 95376485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).