5-chloro-2-hydroxy-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide

C15H11ClF3NO3 — CID 18225179

IUPAC5-chloro-2-hydroxy-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
SMILESO=C(NCc1ccc(OC(F)(F)F)cc1)c1cc(Cl)ccc1O
InChIInChI=1S/C15H11ClF3NO3/c16-10-3-6-13(21)12(7-10)14(22)20-8-9-1-4-11(5-2-9)23-15(17,18)19/h1-7,21H,8H2,(H,20,22)
InChIKeyLKFMSSLLFJGBAE-UHFFFAOYSA-N
MW345.70 g/mol
LogP3.87
Rot. Bonds4

About 5-chloro-2-hydroxy-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide

5-chloro-2-hydroxy-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide (PubChem CID 18225179) has the molecular formula C15H11ClF3NO3 and a molecular weight of 345.70 g/mol. Its IUPAC name is 5-chloro-2-hydroxy-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-hydroxy-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
PubChem CID18225179
Molecular FormulaC15H11ClF3NO3
Molecular Weight345.70 g/mol
Exact Mass345.04
IUPAC Name5-chloro-2-hydroxy-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
SMILESO=C(NCc1ccc(OC(F)(F)F)cc1)c1cc(Cl)ccc1O
InChIInChI=1S/C15H11ClF3NO3/c16-10-3-6-13(21)12(7-10)14(22)20-8-9-1-4-11(5-2-9)23-15(17,18)19/h1-7,21H,8H2,(H,20,22)
InChIKeyLKFMSSLLFJGBAE-UHFFFAOYSA-N
XLogP3.87
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.70
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-chloro-2-[[4-(trifluoromethoxy)phenyl]methylcarbamoyl]phenoxy]acetic acid
CID 18468183
5-chloro-N-[(3,4-difluorophenyl)methyl]-2-hydroxybenzamide
CID 60739890
methyl N-[4-[[(5-chloro-2-hydroxybenzoyl)amino]methyl]phenyl]carbamate
CID 47058003
2,5-dichloro-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
CID 30342567
2-[4-(trifluoromethoxy)phenyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide
CID 112829044
2-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
CID 33311555
5-chloro-2-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 25403062
3-hydroxy-1-methyl-2-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridine-4-carboxamide
CID 90342641
5-chloro-N-(furan-3-ylmethyl)-2-hydroxybenzamide
CID 47204985
5-chloro-2-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide
CID 107230315
2,4-dichloro-N-[(4-methoxyphenyl)methyl]benzamide
CID 779696
2-hydroxy-5-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 11086863

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-hydroxy-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide?
The IUPAC name of 5-chloro-2-hydroxy-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide (CID 18225179) is 5-chloro-2-hydroxy-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide.
What is the SMILES notation for 5-chloro-2-hydroxy-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide?
The canonical SMILES for 5-chloro-2-hydroxy-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide is O=C(NCc1ccc(OC(F)(F)F)cc1)c1cc(Cl)ccc1O.
What is the InChIKey of 5-chloro-2-hydroxy-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide?
The InChIKey is LKFMSSLLFJGBAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF3NO3/c16-10-3-6-13(21)12(7-10)14(22)20-8-9-1-4-11(5-2-9)23-15(17,18)19/h1-7,21H,8H2,(H,20,22).
What are the key properties of 5-chloro-2-hydroxy-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide?
5-chloro-2-hydroxy-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide has a molecular weight of 345.70 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-hydroxy-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide is sourced from PubChem (CID 18225179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).