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

C13H9ClFNO3 — CID 107724034

IUPACN-(3-chloro-5-fluorophenyl)-2,5-dihydroxybenzamide
SMILESO=C(Nc1cc(F)cc(Cl)c1)c1cc(O)ccc1O
InChIInChI=1S/C13H9ClFNO3/c14-7-3-8(15)5-9(4-7)16-13(19)11-6-10(17)1-2-12(11)18/h1-6,17-18H,(H,16,19)
InChIKeyZFEOLCSKXFGURD-UHFFFAOYSA-N
MW281.67 g/mol
LogP3.14
Rot. Bonds2

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

N-(3-chloro-5-fluorophenyl)-2,5-dihydroxybenzamide (PubChem CID 107724034) has the molecular formula C13H9ClFNO3 and a molecular weight of 281.67 g/mol. Its IUPAC name is N-(3-chloro-5-fluorophenyl)-2,5-dihydroxybenzamide.

Molecular Properties

Compound NameN-(3-chloro-5-fluorophenyl)-2,5-dihydroxybenzamide
PubChem CID107724034
Molecular FormulaC13H9ClFNO3
Molecular Weight281.67 g/mol
Exact Mass281.03
IUPAC NameN-(3-chloro-5-fluorophenyl)-2,5-dihydroxybenzamide
SMILESO=C(Nc1cc(F)cc(Cl)c1)c1cc(O)ccc1O
InChIInChI=1S/C13H9ClFNO3/c14-7-3-8(15)5-9(4-7)16-13(19)11-6-10(17)1-2-12(11)18/h1-6,17-18H,(H,16,19)
InChIKeyZFEOLCSKXFGURD-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-(3,5-dichlorophenyl)-2,5-dihydroxybenzamide
CID 107722277
N-(3-chloro-5-fluorophenyl)-2-fluoro-4-hydroxybenzamide
CID 107676875
N-(3-chloro-5-fluorophenyl)-4-hydroxy-2-methylbenzamide
CID 107671680
N-(3-chloro-5-fluorophenyl)-3-hydroxybenzamide
CID 107366818
3-chloro-N-(3-chloro-5-fluorophenyl)-4-hydroxybenzamide
CID 107366859
N-(2-chloro-5-fluorophenyl)-2,5-dihydroxybenzamide
CID 107724057
5-chloro-2-hydroxy-N-(3,4,5-trifluorophenyl)benzamide
CID 62812024
N-(3-chloro-5-fluorophenyl)-2-fluoro-6-hydroxybenzamide
CID 107366833
2-chloro-N-(3-chloro-5-fluorophenyl)-5-sulfanylbenzamide
CID 107370953
4-bromo-N-(3-chloro-5-fluorophenyl)-2-fluorobenzamide
CID 103774690
N-(3-bromo-5-chlorophenyl)-5-chloro-2-hydroxybenzamide
CID 177120584
5-chloro-N-(2-fluoro-4-hydroxyphenyl)-2-hydroxybenzamide
CID 64793866

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-5-fluorophenyl)-2,5-dihydroxybenzamide?
The IUPAC name of N-(3-chloro-5-fluorophenyl)-2,5-dihydroxybenzamide (CID 107724034) is N-(3-chloro-5-fluorophenyl)-2,5-dihydroxybenzamide.
What is the SMILES notation for N-(3-chloro-5-fluorophenyl)-2,5-dihydroxybenzamide?
The canonical SMILES for N-(3-chloro-5-fluorophenyl)-2,5-dihydroxybenzamide is O=C(Nc1cc(F)cc(Cl)c1)c1cc(O)ccc1O.
What is the InChIKey of N-(3-chloro-5-fluorophenyl)-2,5-dihydroxybenzamide?
The InChIKey is ZFEOLCSKXFGURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFNO3/c14-7-3-8(15)5-9(4-7)16-13(19)11-6-10(17)1-2-12(11)18/h1-6,17-18H,(H,16,19).
What are the key properties of N-(3-chloro-5-fluorophenyl)-2,5-dihydroxybenzamide?
N-(3-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-(3-chloro-5-fluorophenyl)-2,5-dihydroxybenzamide is sourced from PubChem (CID 107724034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).