N-(2-chloro-5-fluorophenyl)-3,4-dihydroxybenzamide

C13H9ClFNO3 — CID 103956903

IUPACN-(2-chloro-5-fluorophenyl)-3,4-dihydroxybenzamide
SMILESO=C(Nc1cc(F)ccc1Cl)c1ccc(O)c(O)c1
InChIInChI=1S/C13H9ClFNO3/c14-9-3-2-8(15)6-10(9)16-13(19)7-1-4-11(17)12(18)5-7/h1-6,17-18H,(H,16,19)
InChIKeyBAWIGIAIRLDLFE-UHFFFAOYSA-N
MW281.67 g/mol
LogP3.14
Rot. Bonds2

About N-(2-chloro-5-fluorophenyl)-3,4-dihydroxybenzamide

N-(2-chloro-5-fluorophenyl)-3,4-dihydroxybenzamide (PubChem CID 103956903) has the molecular formula C13H9ClFNO3 and a molecular weight of 281.67 g/mol. Its IUPAC name is N-(2-chloro-5-fluorophenyl)-3,4-dihydroxybenzamide.

Molecular Properties

Compound NameN-(2-chloro-5-fluorophenyl)-3,4-dihydroxybenzamide
PubChem CID103956903
Molecular FormulaC13H9ClFNO3
Molecular Weight281.67 g/mol
Exact Mass281.03
IUPAC NameN-(2-chloro-5-fluorophenyl)-3,4-dihydroxybenzamide
SMILESO=C(Nc1cc(F)ccc1Cl)c1ccc(O)c(O)c1
InChIInChI=1S/C13H9ClFNO3/c14-9-3-2-8(15)6-10(9)16-13(19)7-1-4-11(17)12(18)5-7/h1-6,17-18H,(H,16,19)
InChIKeyBAWIGIAIRLDLFE-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': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-chloro-N-(2-chloro-5-fluorophenyl)benzamide
CID 107526592
N-(2-chloro-5-methylphenyl)-3,4-dihydroxybenzamide
CID 103957548
N-(2-chloro-5-fluorophenyl)-2,5-dihydroxybenzamide
CID 107724057
N-(5-carbamothioyl-2-chlorophenyl)-5-fluoro-2-hydroxybenzamide
CID 115298760
N-(2-chloro-4-fluorophenyl)-3-hydroxy-4-iodobenzamide
CID 104627344
3-chloro-N-(2-chloro-5-fluorophenyl)-4-nitrobenzamide
CID 103873201
N-(2-bromo-4-fluorophenyl)-3-chloro-4-hydroxybenzamide
CID 28938603
N-(5-bromo-2-chlorophenyl)-5-fluoro-2-hydroxybenzamide
CID 115298791
2-chloro-N-(2-chloro-5-fluorophenyl)-5-hydroxybenzamide
CID 107528809
4-(2-aminoethyl)-N-(2-chloro-5-fluorophenyl)benzamide
CID 107528464
2-chloro-N-(2-chloro-5-fluorophenyl)-6-methylpyridine-4-carboxamide
CID 104952423
3-chloro-N-(2-cyano-4-fluorophenyl)-4-hydroxybenzamide
CID 82015912

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-fluorophenyl)-3,4-dihydroxybenzamide?
The IUPAC name of N-(2-chloro-5-fluorophenyl)-3,4-dihydroxybenzamide (CID 103956903) is N-(2-chloro-5-fluorophenyl)-3,4-dihydroxybenzamide.
What is the SMILES notation for N-(2-chloro-5-fluorophenyl)-3,4-dihydroxybenzamide?
The canonical SMILES for N-(2-chloro-5-fluorophenyl)-3,4-dihydroxybenzamide is O=C(Nc1cc(F)ccc1Cl)c1ccc(O)c(O)c1.
What is the InChIKey of N-(2-chloro-5-fluorophenyl)-3,4-dihydroxybenzamide?
The InChIKey is BAWIGIAIRLDLFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFNO3/c14-9-3-2-8(15)6-10(9)16-13(19)7-1-4-11(17)12(18)5-7/h1-6,17-18H,(H,16,19).
What are the key properties of N-(2-chloro-5-fluorophenyl)-3,4-dihydroxybenzamide?
N-(2-chloro-5-fluorophenyl)-3,4-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)-3,4-dihydroxybenzamide is sourced from PubChem (CID 103956903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).