N-(2-chloro-5-fluorophenyl)-2,5-dihydroxybenzamide

C13H9ClFNO3 — CID 107724057

IUPACN-(2-chloro-5-fluorophenyl)-2,5-dihydroxybenzamide
SMILESO=C(Nc1cc(F)ccc1Cl)c1cc(O)ccc1O
InChIInChI=1S/C13H9ClFNO3/c14-10-3-1-7(15)5-11(10)16-13(19)9-6-8(17)2-4-12(9)18/h1-6,17-18H,(H,16,19)
InChIKeyIJMNULBYCUONMF-UHFFFAOYSA-N
MW281.67 g/mol
LogP3.14
Rot. Bonds2

About N-(2-chloro-5-fluorophenyl)-2,5-dihydroxybenzamide

N-(2-chloro-5-fluorophenyl)-2,5-dihydroxybenzamide (PubChem CID 107724057) has the molecular formula C13H9ClFNO3 and a molecular weight of 281.67 g/mol. Its IUPAC name is N-(2-chloro-5-fluorophenyl)-2,5-dihydroxybenzamide.

Molecular Properties

Compound NameN-(2-chloro-5-fluorophenyl)-2,5-dihydroxybenzamide
PubChem CID107724057
Molecular FormulaC13H9ClFNO3
Molecular Weight281.67 g/mol
Exact Mass281.03
IUPAC NameN-(2-chloro-5-fluorophenyl)-2,5-dihydroxybenzamide
SMILESO=C(Nc1cc(F)ccc1Cl)c1cc(O)ccc1O
InChIInChI=1S/C13H9ClFNO3/c14-10-3-1-7(15)5-11(10)16-13(19)9-6-8(17)2-4-12(9)18/h1-6,17-18H,(H,16,19)
InChIKeyIJMNULBYCUONMF-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

2-chloro-N-(2-chloro-5-fluorophenyl)-5-hydroxybenzamide
CID 107528809
N-(5-bromo-2-chlorophenyl)-5-fluoro-2-hydroxybenzamide
CID 115298791
N-(2-chloro-5-fluorophenyl)-3,4-dihydroxybenzamide
CID 103956903
N-(2-chloro-5-methoxyphenyl)-2,5-dihydroxybenzamide
CID 107722765
N-(5-carbamothioyl-2-chlorophenyl)-5-fluoro-2-hydroxybenzamide
CID 115298760
N-(2,6-dichloro-4-fluorophenyl)-5-fluoro-2-hydroxybenzamide
CID 83078997
N-(3-chloro-5-fluorophenyl)-2,5-dihydroxybenzamide
CID 107724034
N-(2-cyano-4-fluorophenyl)-2,5-dihydroxybenzamide
CID 107722029
N-(2-chloro-5-fluorophenyl)-2-fluorobenzamide
CID 113231148
5-fluoro-2-[(5-fluoro-2-hydroxybenzoyl)amino]benzoic acid
CID 115298431
5-chloro-N-(2-fluoro-4-hydroxyphenyl)-2-hydroxybenzamide
CID 64793866
2-chloro-5-hydroxy-N-(2,4,5-trichlorophenyl)benzamide
CID 106501235

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-fluorophenyl)-2,5-dihydroxybenzamide?
The IUPAC name of N-(2-chloro-5-fluorophenyl)-2,5-dihydroxybenzamide (CID 107724057) is N-(2-chloro-5-fluorophenyl)-2,5-dihydroxybenzamide.
What is the SMILES notation for N-(2-chloro-5-fluorophenyl)-2,5-dihydroxybenzamide?
The canonical SMILES for N-(2-chloro-5-fluorophenyl)-2,5-dihydroxybenzamide is O=C(Nc1cc(F)ccc1Cl)c1cc(O)ccc1O.
What is the InChIKey of N-(2-chloro-5-fluorophenyl)-2,5-dihydroxybenzamide?
The InChIKey is IJMNULBYCUONMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFNO3/c14-10-3-1-7(15)5-11(10)16-13(19)9-6-8(17)2-4-12(9)18/h1-6,17-18H,(H,16,19).
What are the key properties of N-(2-chloro-5-fluorophenyl)-2,5-dihydroxybenzamide?
N-(2-chloro-5-fluorophenyl)-2,5-dihydroxybenzamide 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-(2-chloro-5-fluorophenyl)-2,5-dihydroxybenzamide is sourced from PubChem (CID 107724057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).