3-amino-2,5-difluoro-N-(3-hydroxy-4-methylphenyl)benzamide

C14H12F2N2O2 — CID 107699274

IUPAC3-amino-2,5-difluoro-N-(3-hydroxy-4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2cc(F)cc(N)c2F)cc1O
InChIInChI=1S/C14H12F2N2O2/c1-7-2-3-9(6-12(7)19)18-14(20)10-4-8(15)5-11(17)13(10)16/h2-6,19H,17H2,1H3,(H,18,20)
InChIKeyRDVJZVTVHVZSQD-UHFFFAOYSA-N
MW278.26 g/mol
LogP2.81
Rot. Bonds2

About 3-amino-2,5-difluoro-N-(3-hydroxy-4-methylphenyl)benzamide

3-amino-2,5-difluoro-N-(3-hydroxy-4-methylphenyl)benzamide (PubChem CID 107699274) has the molecular formula C14H12F2N2O2 and a molecular weight of 278.26 g/mol. Its IUPAC name is 3-amino-2,5-difluoro-N-(3-hydroxy-4-methylphenyl)benzamide.

Molecular Properties

Compound Name3-amino-2,5-difluoro-N-(3-hydroxy-4-methylphenyl)benzamide
PubChem CID107699274
Molecular FormulaC14H12F2N2O2
Molecular Weight278.26 g/mol
Exact Mass278.09
IUPAC Name3-amino-2,5-difluoro-N-(3-hydroxy-4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2cc(F)cc(N)c2F)cc1O
InChIInChI=1S/C14H12F2N2O2/c1-7-2-3-9(6-12(7)19)18-14(20)10-4-8(15)5-11(17)13(10)16/h2-6,19H,17H2,1H3,(H,18,20)
InChIKeyRDVJZVTVHVZSQD-UHFFFAOYSA-N
XLogP2.81
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(3-bromo-4-methylphenyl)-2,5-difluorobenzamide
CID 107121059
5-amino-2,4-difluoro-N-(3-hydroxy-4-methylphenyl)benzamide
CID 107699288
2,5-difluoro-N-(3-hydroxy-4-methylphenyl)benzamide
CID 64793823
3-amino-N-(4-bromo-3,5-dimethylphenyl)-2,5-difluorobenzamide
CID 107571068
3-amino-2,5-difluoro-N-(6-methyl-3-pyridinyl)benzamide
CID 107121288
3-amino-N-(4-bromo-3-fluorophenyl)-2,5-difluorobenzamide
CID 107121167
3-amino-N-(3-bromo-4-methoxyphenyl)-2,5-difluorobenzamide
CID 107121176
2-fluoro-N-(3-hydroxy-4-methylphenyl)benzamide
CID 5163915
2-amino-N-(3-hydroxy-4-methylphenyl)-3-methylbenzamide
CID 107699257
3-amino-5-fluoro-N-(3-hydroxy-4-methylphenyl)-4-methylbenzamide
CID 107699249
2-amino-5-fluoro-N-(3-fluoro-4-methylphenyl)benzamide
CID 43245678
5-bromo-2-fluoro-N-(3-hydroxy-4-methylphenyl)benzamide
CID 64793080

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,5-difluoro-N-(3-hydroxy-4-methylphenyl)benzamide?
The IUPAC name of 3-amino-2,5-difluoro-N-(3-hydroxy-4-methylphenyl)benzamide (CID 107699274) is 3-amino-2,5-difluoro-N-(3-hydroxy-4-methylphenyl)benzamide.
What is the SMILES notation for 3-amino-2,5-difluoro-N-(3-hydroxy-4-methylphenyl)benzamide?
The canonical SMILES for 3-amino-2,5-difluoro-N-(3-hydroxy-4-methylphenyl)benzamide is Cc1ccc(NC(=O)c2cc(F)cc(N)c2F)cc1O.
What is the InChIKey of 3-amino-2,5-difluoro-N-(3-hydroxy-4-methylphenyl)benzamide?
The InChIKey is RDVJZVTVHVZSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2O2/c1-7-2-3-9(6-12(7)19)18-14(20)10-4-8(15)5-11(17)13(10)16/h2-6,19H,17H2,1H3,(H,18,20).
What are the key properties of 3-amino-2,5-difluoro-N-(3-hydroxy-4-methylphenyl)benzamide?
3-amino-2,5-difluoro-N-(3-hydroxy-4-methylphenyl)benzamide has a molecular weight of 278.26 g/mol, XLogP of 2.81, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,5-difluoro-N-(3-hydroxy-4-methylphenyl)benzamide is sourced from PubChem (CID 107699274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).