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

C13H10FN3O4 — CID 107744674

IUPAC4-amino-3-fluoro-N-(2-hydroxy-5-nitrophenyl)benzamide
SMILESNc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1F
InChIInChI=1S/C13H10FN3O4/c14-9-5-7(1-3-10(9)15)13(19)16-11-6-8(17(20)21)2-4-12(11)18/h1-6,18H,15H2,(H,16,19)
InChIKeyUMDTUIKFLOKZSP-UHFFFAOYSA-N
MW291.24 g/mol
LogP2.27
Rot. Bonds3

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

4-amino-3-fluoro-N-(2-hydroxy-5-nitrophenyl)benzamide (PubChem CID 107744674) has the molecular formula C13H10FN3O4 and a molecular weight of 291.24 g/mol. Its IUPAC name is 4-amino-3-fluoro-N-(2-hydroxy-5-nitrophenyl)benzamide.

Molecular Properties

Compound Name4-amino-3-fluoro-N-(2-hydroxy-5-nitrophenyl)benzamide
PubChem CID107744674
Molecular FormulaC13H10FN3O4
Molecular Weight291.24 g/mol
Exact Mass291.07
IUPAC Name4-amino-3-fluoro-N-(2-hydroxy-5-nitrophenyl)benzamide
SMILESNc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1F
InChIInChI=1S/C13H10FN3O4/c14-9-5-7(1-3-10(9)15)13(19)16-11-6-8(17(20)21)2-4-12(11)18/h1-6,18H,15H2,(H,16,19)
InChIKeyUMDTUIKFLOKZSP-UHFFFAOYSA-N
XLogP2.27
TPSA118.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.24
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-amino-3-fluoro-N-(2-hydroxy-4-nitrophenyl)benzamide
CID 107744277
3-amino-N-(2-hydroxy-5-nitrophenyl)benzamide
CID 107744509
2,3-difluoro-N-(2-hydroxy-5-nitrophenyl)benzamide
CID 103863233
N-(5-fluoro-2-hydroxyphenyl)-3-nitrobenzamide
CID 90714767
3-amino-4-chloro-N-(2-chloro-5-nitrophenyl)benzamide
CID 43708411
4-amino-3-fluoro-N-[(4-nitrophenyl)methyl]benzamide
CID 63188689
6-amino-N-(2-fluoro-5-nitrophenyl)pyridine-3-carboxamide
CID 62155644
4-(2,2-dimethylpropanoylamino)-N-(2-hydroxy-5-nitrophenyl)benzamide
CID 3323180
N-(2-amino-4-nitrophenyl)-4-methylbenzamide
CID 3538621
N-[5-[1,1,1,3,3,3-hexafluoro-2-[4-hydroxy-3-[(4-nitrobenzoyl)amino]phenyl]propan-2-yl]-2-hydroxyphenyl]-4-nitrobenzamide
CID 5122238
4-[3-(aminomethyl)phenyl]-N-(2-hydroxy-5-nitrophenyl)benzamide
CID 166392215
3-amino-N-(2-hydroxy-5-nitrophenyl)propanamide
CID 107744574

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-fluoro-N-(2-hydroxy-5-nitrophenyl)benzamide?
The IUPAC name of 4-amino-3-fluoro-N-(2-hydroxy-5-nitrophenyl)benzamide (CID 107744674) is 4-amino-3-fluoro-N-(2-hydroxy-5-nitrophenyl)benzamide.
What is the SMILES notation for 4-amino-3-fluoro-N-(2-hydroxy-5-nitrophenyl)benzamide?
The canonical SMILES for 4-amino-3-fluoro-N-(2-hydroxy-5-nitrophenyl)benzamide is Nc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1F.
What is the InChIKey of 4-amino-3-fluoro-N-(2-hydroxy-5-nitrophenyl)benzamide?
The InChIKey is UMDTUIKFLOKZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3O4/c14-9-5-7(1-3-10(9)15)13(19)16-11-6-8(17(20)21)2-4-12(11)18/h1-6,18H,15H2,(H,16,19).
What are the key properties of 4-amino-3-fluoro-N-(2-hydroxy-5-nitrophenyl)benzamide?
4-amino-3-fluoro-N-(2-hydroxy-5-nitrophenyl)benzamide has a molecular weight of 291.24 g/mol, XLogP of 2.27, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-fluoro-N-(2-hydroxy-5-nitrophenyl)benzamide is sourced from PubChem (CID 107744674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).