N-(3-chloro-4-hydroxyphenyl)-5-fluoro-2-hydroxybenzamide

C13H9ClFNO3 — CID 115299202

IUPACN-(3-chloro-4-hydroxyphenyl)-5-fluoro-2-hydroxybenzamide
SMILESO=C(Nc1ccc(O)c(Cl)c1)c1cc(F)ccc1O
InChIInChI=1S/C13H9ClFNO3/c14-10-6-8(2-4-12(10)18)16-13(19)9-5-7(15)1-3-11(9)17/h1-6,17-18H,(H,16,19)
InChIKeyYCWXXUVZBKYIEP-UHFFFAOYSA-N
MW281.67 g/mol
LogP3.14
Rot. Bonds2

About N-(3-chloro-4-hydroxyphenyl)-5-fluoro-2-hydroxybenzamide

N-(3-chloro-4-hydroxyphenyl)-5-fluoro-2-hydroxybenzamide (PubChem CID 115299202) has the molecular formula C13H9ClFNO3 and a molecular weight of 281.67 g/mol. Its IUPAC name is N-(3-chloro-4-hydroxyphenyl)-5-fluoro-2-hydroxybenzamide.

Molecular Properties

Compound NameN-(3-chloro-4-hydroxyphenyl)-5-fluoro-2-hydroxybenzamide
PubChem CID115299202
Molecular FormulaC13H9ClFNO3
Molecular Weight281.67 g/mol
Exact Mass281.03
IUPAC NameN-(3-chloro-4-hydroxyphenyl)-5-fluoro-2-hydroxybenzamide
SMILESO=C(Nc1ccc(O)c(Cl)c1)c1cc(F)ccc1O
InChIInChI=1S/C13H9ClFNO3/c14-10-6-8(2-4-12(10)18)16-13(19)9-5-7(15)1-3-11(9)17/h1-6,17-18H,(H,16,19)
InChIKeyYCWXXUVZBKYIEP-UHFFFAOYSA-N
XLogP3.14
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.67
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloro-4-methylphenyl)-5-fluoro-2-hydroxybenzamide
CID 115298821
2-chloro-N-(3-chloro-4-hydroxyphenyl)-5-fluoropyridine-3-carboxamide
CID 114034323
N-(2,6-dichloro-4-fluorophenyl)-5-fluoro-2-hydroxybenzamide
CID 83078997
N-(3-chloro-4-fluorophenyl)-5-(2,4-difluorophenyl)-2-hydroxybenzamide
CID 175663537
2-chloro-N-(3-chloro-4-hydroxyphenyl)benzamide
CID 5119935
2-chloro-4-[(4-fluoro-2-hydroxybenzoyl)amino]benzoic acid
CID 107013493
2-chloro-N-(3-chloro-4-hydroxyphenyl)-3-fluorobenzamide
CID 79039798
4-[(5-fluoro-2-hydroxybenzoyl)amino]-2-methylbenzoic acid
CID 115298490
N-(3-chloro-4-fluorophenyl)-2-hydroxy-5-iodobenzamide
CID 103602066
N-(3,4-dicyanophenyl)-5-fluoro-2-hydroxybenzamide
CID 103944404
2-bromo-N-(4-chloro-3-hydroxyphenyl)-5-fluorobenzamide
CID 64789249
N-[3-(dimethylamino)-4-methylphenyl]-5-fluoro-2-hydroxybenzamide
CID 115377989

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-hydroxyphenyl)-5-fluoro-2-hydroxybenzamide?
The IUPAC name of N-(3-chloro-4-hydroxyphenyl)-5-fluoro-2-hydroxybenzamide (CID 115299202) is N-(3-chloro-4-hydroxyphenyl)-5-fluoro-2-hydroxybenzamide.
What is the SMILES notation for N-(3-chloro-4-hydroxyphenyl)-5-fluoro-2-hydroxybenzamide?
The canonical SMILES for N-(3-chloro-4-hydroxyphenyl)-5-fluoro-2-hydroxybenzamide is O=C(Nc1ccc(O)c(Cl)c1)c1cc(F)ccc1O.
What is the InChIKey of N-(3-chloro-4-hydroxyphenyl)-5-fluoro-2-hydroxybenzamide?
The InChIKey is YCWXXUVZBKYIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFNO3/c14-10-6-8(2-4-12(10)18)16-13(19)9-5-7(15)1-3-11(9)17/h1-6,17-18H,(H,16,19).
What are the key properties of N-(3-chloro-4-hydroxyphenyl)-5-fluoro-2-hydroxybenzamide?
N-(3-chloro-4-hydroxyphenyl)-5-fluoro-2-hydroxybenzamide has a molecular weight of 281.67 g/mol, XLogP of 3.14, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-hydroxyphenyl)-5-fluoro-2-hydroxybenzamide is sourced from PubChem (CID 115299202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).