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

C13H9ClFNO3 — CID 64793866

IUPAC5-chloro-N-(2-fluoro-4-hydroxyphenyl)-2-hydroxybenzamide
SMILESO=C(Nc1ccc(O)cc1F)c1cc(Cl)ccc1O
InChIInChI=1S/C13H9ClFNO3/c14-7-1-4-12(18)9(5-7)13(19)16-11-3-2-8(17)6-10(11)15/h1-6,17-18H,(H,16,19)
InChIKeyPLXVLXNDTFMXSN-UHFFFAOYSA-N
MW281.67 g/mol
LogP3.14
Rot. Bonds2

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

5-chloro-N-(2-fluoro-4-hydroxyphenyl)-2-hydroxybenzamide (PubChem CID 64793866) has the molecular formula C13H9ClFNO3 and a molecular weight of 281.67 g/mol. Its IUPAC name is 5-chloro-N-(2-fluoro-4-hydroxyphenyl)-2-hydroxybenzamide.

Molecular Properties

Compound Name5-chloro-N-(2-fluoro-4-hydroxyphenyl)-2-hydroxybenzamide
PubChem CID64793866
Molecular FormulaC13H9ClFNO3
Molecular Weight281.67 g/mol
Exact Mass281.03
IUPAC Name5-chloro-N-(2-fluoro-4-hydroxyphenyl)-2-hydroxybenzamide
SMILESO=C(Nc1ccc(O)cc1F)c1cc(Cl)ccc1O
InChIInChI=1S/C13H9ClFNO3/c14-7-1-4-12(18)9(5-7)13(19)16-11-3-2-8(17)6-10(11)15/h1-6,17-18H,(H,16,19)
InChIKeyPLXVLXNDTFMXSN-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-(2-fluoro-4-hydroxyphenyl)-2-hydroxy-5-methoxybenzamide
CID 64794044
2,5-dihydroxy-N-(2,3,4-trifluorophenyl)benzamide
CID 107722274
4-chloro-N-(2-fluoro-4-hydroxyphenyl)-2-nitrobenzamide
CID 64786289
5-chloro-2-hydroxy-N-(2,3,5-trifluorophenyl)benzamide
CID 62813735
5-bromo-2-fluoro-N-(2-fluoro-4-hydroxyphenyl)benzamide
CID 64793128
N-(2,4-difluorophenyl)-2-fluoro-4-hydroxybenzamide
CID 103941207
N-(4-chloro-2-fluorophenyl)-2,4-difluorobenzamide
CID 2572466
5-chloro-2-hydroxy-N-(3,4,5-trifluorophenyl)benzamide
CID 62812024
N-(2-chloro-5-fluorophenyl)-2,5-dihydroxybenzamide
CID 107724057
4-chloro-2-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid
CID 107674641
N-(4-chloro-2-fluorophenyl)-2-fluoro-5-methylbenzamide
CID 55083427
5-chloro-N-(5-chloro-2-fluorophenyl)-2-hydrazinylbenzamide
CID 62242667

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-fluoro-4-hydroxyphenyl)-2-hydroxybenzamide?
The IUPAC name of 5-chloro-N-(2-fluoro-4-hydroxyphenyl)-2-hydroxybenzamide (CID 64793866) is 5-chloro-N-(2-fluoro-4-hydroxyphenyl)-2-hydroxybenzamide.
What is the SMILES notation for 5-chloro-N-(2-fluoro-4-hydroxyphenyl)-2-hydroxybenzamide?
The canonical SMILES for 5-chloro-N-(2-fluoro-4-hydroxyphenyl)-2-hydroxybenzamide is O=C(Nc1ccc(O)cc1F)c1cc(Cl)ccc1O.
What is the InChIKey of 5-chloro-N-(2-fluoro-4-hydroxyphenyl)-2-hydroxybenzamide?
The InChIKey is PLXVLXNDTFMXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFNO3/c14-7-1-4-12(18)9(5-7)13(19)16-11-3-2-8(17)6-10(11)15/h1-6,17-18H,(H,16,19).
What are the key properties of 5-chloro-N-(2-fluoro-4-hydroxyphenyl)-2-hydroxybenzamide?
5-chloro-N-(2-fluoro-4-hydroxyphenyl)-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 5-chloro-N-(2-fluoro-4-hydroxyphenyl)-2-hydroxybenzamide is sourced from PubChem (CID 64793866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).