2-chloro-6-fluoro-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide

C16H12ClF4NO2 — CID 56765442

IUPAC2-chloro-6-fluoro-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
SMILESO=C(NCC(O)c1ccc(C(F)(F)F)cc1)c1c(F)cccc1Cl
InChIInChI=1S/C16H12ClF4NO2/c17-11-2-1-3-12(18)14(11)15(24)22-8-13(23)9-4-6-10(7-5-9)16(19,20)21/h1-7,13,23H,8H2,(H,22,24)
InChIKeyBDIJCXHTCZSFBA-UHFFFAOYSA-N
MW361.72 g/mol
LogP3.96
Rot. Bonds4

About 2-chloro-6-fluoro-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide

2-chloro-6-fluoro-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide (PubChem CID 56765442) has the molecular formula C16H12ClF4NO2 and a molecular weight of 361.72 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
PubChem CID56765442
Molecular FormulaC16H12ClF4NO2
Molecular Weight361.72 g/mol
Exact Mass361.05
IUPAC Name2-chloro-6-fluoro-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
SMILESO=C(NCC(O)c1ccc(C(F)(F)F)cc1)c1c(F)cccc1Cl
InChIInChI=1S/C16H12ClF4NO2/c17-11-2-1-3-12(18)14(11)15(24)22-8-13(23)9-4-6-10(7-5-9)16(19,20)21/h1-7,13,23H,8H2,(H,22,24)
InChIKeyBDIJCXHTCZSFBA-UHFFFAOYSA-N
XLogP3.96
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 ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide (CID 56765442) is 2-chloro-6-fluoro-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide is O=C(NCC(O)c1ccc(C(F)(F)F)cc1)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-6-fluoro-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide?
The InChIKey is BDIJCXHTCZSFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF4NO2/c17-11-2-1-3-12(18)14(11)15(24)22-8-13(23)9-4-6-10(7-5-9)16(19,20)21/h1-7,13,23H,8H2,(H,22,24).
What are the key properties of 2-chloro-6-fluoro-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide?
2-chloro-6-fluoro-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide has a molecular weight of 361.72 g/mol, XLogP of 3.96, 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-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide is sourced from PubChem (CID 56765442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).