4-chloro-N-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]benzamide

C15H11ClF3NO2 — CID 3058190

IUPAC4-chloro-N-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(C(O)C(F)(F)F)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H11ClF3NO2/c16-11-5-1-10(2-6-11)14(22)20-12-7-3-9(4-8-12)13(21)15(17,18)19/h1-8,13,21H,(H,20,22)
InChIKeyCFCPLHYAAFJFMO-UHFFFAOYSA-N
MW329.71 g/mol
LogP4.19
Rot. Bonds3

About 4-chloro-N-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]benzamide

4-chloro-N-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]benzamide (PubChem CID 3058190) has the molecular formula C15H11ClF3NO2 and a molecular weight of 329.71 g/mol. Its IUPAC name is 4-chloro-N-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]benzamide
PubChem CID3058190
Molecular FormulaC15H11ClF3NO2
Molecular Weight329.71 g/mol
Exact Mass329.04
IUPAC Name4-chloro-N-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(C(O)C(F)(F)F)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H11ClF3NO2/c16-11-5-1-10(2-6-11)14(22)20-12-7-3-9(4-8-12)13(21)15(17,18)19/h1-8,13,21H,(H,20,22)
InChIKeyCFCPLHYAAFJFMO-UHFFFAOYSA-N
XLogP4.19
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.71
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)phenyl)-4-(trifluoromethyl)benzamide
CID 17980288
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CID 91864525
Methyl 2-{4-[(3,4-dichlorophenyl)carbonylamino]phenyl}-3,3,3-trifluoro-2-hydro xypropanoate
CID 2729402
4-chloro-2-hydroxy-N-[4-(trifluoromethyl)phenyl]benzamide
CID 5274026
7-chloro-3-(4-fluorophenyl)-4-hydroxy-1H-quinolin-2-one
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3-chloro-2-fluoro-N-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)-6-(trifluoromethyl)benzamide
CID 56956256
SR0987
CID 2323435
2-(4-chlorophenyl)-N-[2-(hydroxymethyl)phenyl]acetamide
CID 873878
2-chloro-N-[4-(2-hydroxy-2-phenylethyl)phenyl]benzamide
CID 56672054
N-[4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl]benzamide
CID 1188393
4-chloro-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]benzamide
CID 21179063
2,4-difluoro-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]benzamide
CID 44241432

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]benzamide?
The IUPAC name of 4-chloro-N-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]benzamide (CID 3058190) is 4-chloro-N-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]benzamide.
What is the SMILES notation for 4-chloro-N-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]benzamide?
The canonical SMILES for 4-chloro-N-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]benzamide is O=C(Nc1ccc(C(O)C(F)(F)F)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]benzamide?
The InChIKey is CFCPLHYAAFJFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF3NO2/c16-11-5-1-10(2-6-11)14(22)20-12-7-3-9(4-8-12)13(21)15(17,18)19/h1-8,13,21H,(H,20,22).
What are the key properties of 4-chloro-N-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]benzamide?
4-chloro-N-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]benzamide has a molecular weight of 329.71 g/mol, XLogP of 4.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]benzamide is sourced from PubChem (CID 3058190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).