2-chloro-4,5-difluoro-N-(3-hydroxyphenyl)benzamide

C13H8ClF2NO2 — CID 78783752

IUPAC2-chloro-4,5-difluoro-N-(3-hydroxyphenyl)benzamide
SMILESO=C(Nc1cccc(O)c1)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C13H8ClF2NO2/c14-10-6-12(16)11(15)5-9(10)13(19)17-7-2-1-3-8(18)4-7/h1-6,18H,(H,17,19)
InChIKeyLLDLGYFJRMLBNG-UHFFFAOYSA-N
MW283.66 g/mol
LogP3.58
Rot. Bonds2

About 2-chloro-4,5-difluoro-N-(3-hydroxyphenyl)benzamide

2-chloro-4,5-difluoro-N-(3-hydroxyphenyl)benzamide (PubChem CID 78783752) has the molecular formula C13H8ClF2NO2 and a molecular weight of 283.66 g/mol. Its IUPAC name is 2-chloro-4,5-difluoro-N-(3-hydroxyphenyl)benzamide.

Molecular Properties

Compound Name2-chloro-4,5-difluoro-N-(3-hydroxyphenyl)benzamide
PubChem CID78783752
Molecular FormulaC13H8ClF2NO2
Molecular Weight283.66 g/mol
Exact Mass283.02
IUPAC Name2-chloro-4,5-difluoro-N-(3-hydroxyphenyl)benzamide
SMILESO=C(Nc1cccc(O)c1)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C13H8ClF2NO2/c14-10-6-12(16)11(15)5-9(10)13(19)17-7-2-1-3-8(18)4-7/h1-6,18H,(H,17,19)
InChIKeyLLDLGYFJRMLBNG-UHFFFAOYSA-N
XLogP3.58
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.66
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-chloro-2,5-difluoro-N-(3-hydroxyphenyl)benzamide
CID 82771176
2-chloro-4,5-difluoro-N-(3-nitrophenyl)benzamide
CID 797365
2-chloro-N-[3-(dimethylsulfamoylamino)phenyl]-4,5-difluorobenzamide
CID 1250955
2-chloro-4,5-difluoro-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 4803040
2-chloro-N-(2,6-diethylphenyl)-4,5-difluorobenzamide
CID 1252541
2,4-dichloro-N-(3-ethynylphenyl)-5-fluorobenzamide
CID 51330118
dimethyl (E)-2-[3-[(2-chloro-4,5-difluorobenzoyl)amino]anilino]but-2-enedioate
CID 168569299
N-(3-acetylphenyl)-4-chloro-2,5-difluorobenzamide
CID 82773116
2-chloro-N-[4-(dimethylamino)phenyl]-4,5-difluorobenzamide
CID 78776354
2-bromo-4-fluoro-N-(3-hydroxyphenyl)benzamide
CID 28739689
N-(4-chloro-3-fluorophenyl)-3-hydroxybenzamide
CID 54955192
2,4-dichloro-N-[(3-hydroxyphenyl)carbamothioyl]benzamide
CID 4939146

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,5-difluoro-N-(3-hydroxyphenyl)benzamide?
The IUPAC name of 2-chloro-4,5-difluoro-N-(3-hydroxyphenyl)benzamide (CID 78783752) is 2-chloro-4,5-difluoro-N-(3-hydroxyphenyl)benzamide.
What is the SMILES notation for 2-chloro-4,5-difluoro-N-(3-hydroxyphenyl)benzamide?
The canonical SMILES for 2-chloro-4,5-difluoro-N-(3-hydroxyphenyl)benzamide is O=C(Nc1cccc(O)c1)c1cc(F)c(F)cc1Cl.
What is the InChIKey of 2-chloro-4,5-difluoro-N-(3-hydroxyphenyl)benzamide?
The InChIKey is LLDLGYFJRMLBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClF2NO2/c14-10-6-12(16)11(15)5-9(10)13(19)17-7-2-1-3-8(18)4-7/h1-6,18H,(H,17,19).
What are the key properties of 2-chloro-4,5-difluoro-N-(3-hydroxyphenyl)benzamide?
2-chloro-4,5-difluoro-N-(3-hydroxyphenyl)benzamide has a molecular weight of 283.66 g/mol, XLogP of 3.58, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,5-difluoro-N-(3-hydroxyphenyl)benzamide is sourced from PubChem (CID 78783752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).