N-(2-chloro-6-fluorophenyl)-3,4-dihydroxybenzamide

C13H9ClFNO3 — CID 107728554

IUPACN-(2-chloro-6-fluorophenyl)-3,4-dihydroxybenzamide
SMILESO=C(Nc1c(F)cccc1Cl)c1ccc(O)c(O)c1
InChIInChI=1S/C13H9ClFNO3/c14-8-2-1-3-9(15)12(8)16-13(19)7-4-5-10(17)11(18)6-7/h1-6,17-18H,(H,16,19)
InChIKeyYWSBWURLKYBFHL-UHFFFAOYSA-N
MW281.67 g/mol
LogP3.14
Rot. Bonds2

About N-(2-chloro-6-fluorophenyl)-3,4-dihydroxybenzamide

N-(2-chloro-6-fluorophenyl)-3,4-dihydroxybenzamide (PubChem CID 107728554) has the molecular formula C13H9ClFNO3 and a molecular weight of 281.67 g/mol. Its IUPAC name is N-(2-chloro-6-fluorophenyl)-3,4-dihydroxybenzamide.

Molecular Properties

Compound NameN-(2-chloro-6-fluorophenyl)-3,4-dihydroxybenzamide
PubChem CID107728554
Molecular FormulaC13H9ClFNO3
Molecular Weight281.67 g/mol
Exact Mass281.03
IUPAC NameN-(2-chloro-6-fluorophenyl)-3,4-dihydroxybenzamide
SMILESO=C(Nc1c(F)cccc1Cl)c1ccc(O)c(O)c1
InChIInChI=1S/C13H9ClFNO3/c14-8-2-1-3-9(15)12(8)16-13(19)7-4-5-10(17)11(18)6-7/h1-6,17-18H,(H,16,19)
InChIKeyYWSBWURLKYBFHL-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'}

Analyze N-(2-chloro-6-fluorophenyl)-3,4-dihydroxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-chloro-6-fluorophenyl)-3,5-dihydroxybenzamide
CID 107704313
N-(2-bromo-6-fluorophenyl)-3-chloro-4-hydroxybenzamide
CID 107600810
N-(2,6-difluorophenyl)-4-hydroxy-3-methylbenzamide
CID 103956615
N-(2-chloro-6-methylphenyl)-3-hydroxy-4-methylbenzamide
CID 66254574
N-(2,6-dichlorophenyl)-2-fluoro-6-hydroxybenzamide
CID 107015267
3-chloro-2-[(3-chloro-4-hydroxybenzoyl)amino]benzoic acid
CID 107047518
N-(2-chloro-5-fluorophenyl)-3,4-dihydroxybenzamide
CID 103956903
3-chloro-N-(2,6-difluorophenyl)-4-nitrobenzamide
CID 82775247
4-chloro-N-(2,6-difluorophenyl)-3-methylsulfonylbenzamide
CID 51158895
3-amino-N-(2-bromo-6-fluorophenyl)-4-chlorobenzamide
CID 107596191
N-(2-chloro-6-methylphenyl)-3-hydroxy-4-iodobenzamide
CID 104629237
3,4-dihydroxy-N-(3,4,5-trifluorophenyl)benzamide
CID 103957233

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-fluorophenyl)-3,4-dihydroxybenzamide?
The IUPAC name of N-(2-chloro-6-fluorophenyl)-3,4-dihydroxybenzamide (CID 107728554) is N-(2-chloro-6-fluorophenyl)-3,4-dihydroxybenzamide.
What is the SMILES notation for N-(2-chloro-6-fluorophenyl)-3,4-dihydroxybenzamide?
The canonical SMILES for N-(2-chloro-6-fluorophenyl)-3,4-dihydroxybenzamide is O=C(Nc1c(F)cccc1Cl)c1ccc(O)c(O)c1.
What is the InChIKey of N-(2-chloro-6-fluorophenyl)-3,4-dihydroxybenzamide?
The InChIKey is YWSBWURLKYBFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFNO3/c14-8-2-1-3-9(15)12(8)16-13(19)7-4-5-10(17)11(18)6-7/h1-6,17-18H,(H,16,19).
What are the key properties of N-(2-chloro-6-fluorophenyl)-3,4-dihydroxybenzamide?
N-(2-chloro-6-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-6-fluorophenyl)-3,4-dihydroxybenzamide is sourced from PubChem (CID 107728554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).