3-amino-4-fluoro-N-(2-hydroxyphenyl)benzamide

C13H11FN2O2 — CID 110488257

IUPAC3-amino-4-fluoro-N-(2-hydroxyphenyl)benzamide
SMILESNc1cc(C(=O)Nc2ccccc2O)ccc1F
InChIInChI=1S/C13H11FN2O2/c14-9-6-5-8(7-10(9)15)13(18)16-11-3-1-2-4-12(11)17/h1-7,17H,15H2,(H,16,18)
InChIKeyKBUQRXPFGJDDRD-UHFFFAOYSA-N
MW246.24 g/mol
LogP2.37
Rot. Bonds2

About 3-amino-4-fluoro-N-(2-hydroxyphenyl)benzamide

3-amino-4-fluoro-N-(2-hydroxyphenyl)benzamide (PubChem CID 110488257) has the molecular formula C13H11FN2O2 and a molecular weight of 246.24 g/mol. Its IUPAC name is 3-amino-4-fluoro-N-(2-hydroxyphenyl)benzamide.

Molecular Properties

Compound Name3-amino-4-fluoro-N-(2-hydroxyphenyl)benzamide
PubChem CID110488257
Molecular FormulaC13H11FN2O2
Molecular Weight246.24 g/mol
Exact Mass246.08
IUPAC Name3-amino-4-fluoro-N-(2-hydroxyphenyl)benzamide
SMILESNc1cc(C(=O)Nc2ccccc2O)ccc1F
InChIInChI=1S/C13H11FN2O2/c14-9-6-5-8(7-10(9)15)13(18)16-11-3-1-2-4-12(11)17/h1-7,17H,15H2,(H,16,18)
InChIKeyKBUQRXPFGJDDRD-UHFFFAOYSA-N
XLogP2.37
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 52.37
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-4-fluoro-N-(2,4,5-trifluorophenyl)benzamide
CID 62814302
3-fluoro-N-(2-hydroxyphenyl)benzamide
CID 45029698
3,5-difluoro-N-(2-hydroxyphenyl)benzamide
CID 17396762
2-amino-4-[(2-fluorophenyl)carbamoyl]benzoic acid
CID 170549186
3-amino-N-(4-chlorophenyl)-4-fluorobenzamide
CID 39364346
N-(2-aminophenyl)-4-hydroxy-3-methylbenzamide
CID 107671931
N-(2-aminophenyl)-4-bromo-3-hydroxybenzamide
CID 114103160
(3-amino-4-fluorophenyl)-phenylmethanone
CID 18962631
3-amino-4-fluorobenzohydrazide;hydrochloride
CID 131133629
4-amino-3-fluoro-N-(2-methylphenyl)benzamide
CID 55102680
3-amino-N-(2,5-dichloro-4-methylphenyl)-4-fluorobenzamide
CID 104725727
3-amino-N-(2-fluorophenyl)-4-methoxybenzamide
CID 16789472

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-fluoro-N-(2-hydroxyphenyl)benzamide?
The IUPAC name of 3-amino-4-fluoro-N-(2-hydroxyphenyl)benzamide (CID 110488257) is 3-amino-4-fluoro-N-(2-hydroxyphenyl)benzamide.
What is the SMILES notation for 3-amino-4-fluoro-N-(2-hydroxyphenyl)benzamide?
The canonical SMILES for 3-amino-4-fluoro-N-(2-hydroxyphenyl)benzamide is Nc1cc(C(=O)Nc2ccccc2O)ccc1F.
What is the InChIKey of 3-amino-4-fluoro-N-(2-hydroxyphenyl)benzamide?
The InChIKey is KBUQRXPFGJDDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O2/c14-9-6-5-8(7-10(9)15)13(18)16-11-3-1-2-4-12(11)17/h1-7,17H,15H2,(H,16,18).
What are the key properties of 3-amino-4-fluoro-N-(2-hydroxyphenyl)benzamide?
3-amino-4-fluoro-N-(2-hydroxyphenyl)benzamide has a molecular weight of 246.24 g/mol, XLogP of 2.37, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-fluoro-N-(2-hydroxyphenyl)benzamide is sourced from PubChem (CID 110488257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).