4-amino-2-fluoro-N-(2-hydroxy-3,5-dimethylphenyl)benzamide

C15H15FN2O2 — CID 107794653

IUPAC4-amino-2-fluoro-N-(2-hydroxy-3,5-dimethylphenyl)benzamide
SMILESCc1cc(C)c(O)c(NC(=O)c2ccc(N)cc2F)c1
InChIInChI=1S/C15H15FN2O2/c1-8-5-9(2)14(19)13(6-8)18-15(20)11-4-3-10(17)7-12(11)16/h3-7,19H,17H2,1-2H3,(H,18,20)
InChIKeyLJNMUQVDNWIWPE-UHFFFAOYSA-N
MW274.30 g/mol
LogP2.98
Rot. Bonds2

About 4-amino-2-fluoro-N-(2-hydroxy-3,5-dimethylphenyl)benzamide

4-amino-2-fluoro-N-(2-hydroxy-3,5-dimethylphenyl)benzamide (PubChem CID 107794653) has the molecular formula C15H15FN2O2 and a molecular weight of 274.30 g/mol. Its IUPAC name is 4-amino-2-fluoro-N-(2-hydroxy-3,5-dimethylphenyl)benzamide.

Molecular Properties

Compound Name4-amino-2-fluoro-N-(2-hydroxy-3,5-dimethylphenyl)benzamide
PubChem CID107794653
Molecular FormulaC15H15FN2O2
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC Name4-amino-2-fluoro-N-(2-hydroxy-3,5-dimethylphenyl)benzamide
SMILESCc1cc(C)c(O)c(NC(=O)c2ccc(N)cc2F)c1
InChIInChI=1S/C15H15FN2O2/c1-8-5-9(2)14(19)13(6-8)18-15(20)11-4-3-10(17)7-12(11)16/h3-7,19H,17H2,1-2H3,(H,18,20)
InChIKeyLJNMUQVDNWIWPE-UHFFFAOYSA-N
XLogP2.98
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 52.98
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

4-amino-N-(3-bromo-5-methylphenyl)-2-fluorobenzamide
CID 107581615
N-(5-amino-2-fluorophenyl)-4-hydroxy-2-methylbenzamide
CID 107670559
4-amino-N-(5-bromo-2,4-difluorophenyl)-2-methylbenzamide
CID 102852303
N-(5-amino-2-fluorophenyl)-3,5-dimethylbenzamide
CID 16771732
N-(4-amino-2-methylphenyl)-2,4-difluoro-5-methylbenzamide
CID 115737618
N-(4-amino-2-fluorophenyl)-2,3-dihydroxybenzamide
CID 114343189
N-(5-amino-2-bromo-4-methylphenyl)-2-fluoro-4-methylbenzamide
CID 104814325
4-amino-N-(2-chloro-4-methyl-3-pyridinyl)-2-fluorobenzamide
CID 65490063
4-amino-2-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid
CID 107674554
4-amino-2-fluoro-N-(3-methyl-4-nitrophenyl)benzamide
CID 107794431
4-amino-N-[3-(dimethylamino)-4-methylphenyl]-2-fluorobenzamide
CID 115375795
4-amino-3,5-dichloro-N-(2-hydroxy-3,5-dimethylphenyl)benzamide
CID 82814045

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-fluoro-N-(2-hydroxy-3,5-dimethylphenyl)benzamide?
The IUPAC name of 4-amino-2-fluoro-N-(2-hydroxy-3,5-dimethylphenyl)benzamide (CID 107794653) is 4-amino-2-fluoro-N-(2-hydroxy-3,5-dimethylphenyl)benzamide.
What is the SMILES notation for 4-amino-2-fluoro-N-(2-hydroxy-3,5-dimethylphenyl)benzamide?
The canonical SMILES for 4-amino-2-fluoro-N-(2-hydroxy-3,5-dimethylphenyl)benzamide is Cc1cc(C)c(O)c(NC(=O)c2ccc(N)cc2F)c1.
What is the InChIKey of 4-amino-2-fluoro-N-(2-hydroxy-3,5-dimethylphenyl)benzamide?
The InChIKey is LJNMUQVDNWIWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2/c1-8-5-9(2)14(19)13(6-8)18-15(20)11-4-3-10(17)7-12(11)16/h3-7,19H,17H2,1-2H3,(H,18,20).
What are the key properties of 4-amino-2-fluoro-N-(2-hydroxy-3,5-dimethylphenyl)benzamide?
4-amino-2-fluoro-N-(2-hydroxy-3,5-dimethylphenyl)benzamide has a molecular weight of 274.30 g/mol, XLogP of 2.98, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-fluoro-N-(2-hydroxy-3,5-dimethylphenyl)benzamide is sourced from PubChem (CID 107794653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).