4-amino-N-(2,6-dichloro-4-fluorophenyl)-3-hydroxybenzamide

C13H9Cl2FN2O2 — CID 107075861

IUPAC4-amino-N-(2,6-dichloro-4-fluorophenyl)-3-hydroxybenzamide
SMILESNc1ccc(C(=O)Nc2c(Cl)cc(F)cc2Cl)cc1O
InChIInChI=1S/C13H9Cl2FN2O2/c14-8-4-7(16)5-9(15)12(8)18-13(20)6-1-2-10(17)11(19)3-6/h1-5,19H,17H2,(H,18,20)
InChIKeyIJFXDIKAWQSNKF-UHFFFAOYSA-N
MW315.13 g/mol
LogP3.67
Rot. Bonds2

About 4-amino-N-(2,6-dichloro-4-fluorophenyl)-3-hydroxybenzamide

4-amino-N-(2,6-dichloro-4-fluorophenyl)-3-hydroxybenzamide (PubChem CID 107075861) has the molecular formula C13H9Cl2FN2O2 and a molecular weight of 315.13 g/mol. Its IUPAC name is 4-amino-N-(2,6-dichloro-4-fluorophenyl)-3-hydroxybenzamide.

Molecular Properties

Compound Name4-amino-N-(2,6-dichloro-4-fluorophenyl)-3-hydroxybenzamide
PubChem CID107075861
Molecular FormulaC13H9Cl2FN2O2
Molecular Weight315.13 g/mol
Exact Mass314.00
IUPAC Name4-amino-N-(2,6-dichloro-4-fluorophenyl)-3-hydroxybenzamide
SMILESNc1ccc(C(=O)Nc2c(Cl)cc(F)cc2Cl)cc1O
InChIInChI=1S/C13H9Cl2FN2O2/c14-8-4-7(16)5-9(15)12(8)18-13(20)6-1-2-10(17)11(19)3-6/h1-5,19H,17H2,(H,18,20)
InChIKeyIJFXDIKAWQSNKF-UHFFFAOYSA-N
XLogP3.67
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.13
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(2,6-dichloro-4-fluorophenyl)-4-fluorobenzamide
CID 83076280
3-amino-4-chloro-N-(2-chloro-4,6-difluorophenyl)benzamide
CID 83081298
3-amino-4-fluoro-N-(2,4,6-trichlorophenyl)benzamide
CID 43436994
4-amino-N-(3,4-dichlorophenyl)-3-hydroxybenzamide
CID 107073884
N-(2,6-dichloro-4-fluorophenyl)-5-fluoro-2-hydroxybenzamide
CID 83078997
N-(2,6-dichloro-4-fluorophenyl)-4-hydrazinyl-3-methylbenzamide
CID 83074778
2-amino-N-(2,6-dichloro-4-fluorophenyl)-5-methylbenzamide
CID 83076619
N-(4-amino-2,6-dichlorophenyl)-3-fluorobenzamide
CID 16776319
4-amino-N-(2-chloro-5-methylphenyl)-3-hydroxybenzamide
CID 107624052
2-amino-N-(2,6-dichloro-4-fluorophenyl)-4,5-difluorobenzamide
CID 83077757
4-amino-N-(2,6-diethylphenyl)-3-hydroxybenzamide
CID 107073824
3-amino-2-chloro-N-(2,6-dichloro-4-fluorophenyl)benzamide
CID 115930651

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,6-dichloro-4-fluorophenyl)-3-hydroxybenzamide?
The IUPAC name of 4-amino-N-(2,6-dichloro-4-fluorophenyl)-3-hydroxybenzamide (CID 107075861) is 4-amino-N-(2,6-dichloro-4-fluorophenyl)-3-hydroxybenzamide.
What is the SMILES notation for 4-amino-N-(2,6-dichloro-4-fluorophenyl)-3-hydroxybenzamide?
The canonical SMILES for 4-amino-N-(2,6-dichloro-4-fluorophenyl)-3-hydroxybenzamide is Nc1ccc(C(=O)Nc2c(Cl)cc(F)cc2Cl)cc1O.
What is the InChIKey of 4-amino-N-(2,6-dichloro-4-fluorophenyl)-3-hydroxybenzamide?
The InChIKey is IJFXDIKAWQSNKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2FN2O2/c14-8-4-7(16)5-9(15)12(8)18-13(20)6-1-2-10(17)11(19)3-6/h1-5,19H,17H2,(H,18,20).
What are the key properties of 4-amino-N-(2,6-dichloro-4-fluorophenyl)-3-hydroxybenzamide?
4-amino-N-(2,6-dichloro-4-fluorophenyl)-3-hydroxybenzamide has a molecular weight of 315.13 g/mol, XLogP of 3.67, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,6-dichloro-4-fluorophenyl)-3-hydroxybenzamide is sourced from PubChem (CID 107075861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).