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

C13H10FN3O4 — CID 43695935

IUPAC2-amino-5-fluoro-N-(4-hydroxy-2-nitrophenyl)benzamide
SMILESNc1ccc(F)cc1C(=O)Nc1ccc(O)cc1[N+](=O)[O-]
InChIInChI=1S/C13H10FN3O4/c14-7-1-3-10(15)9(5-7)13(19)16-11-4-2-8(18)6-12(11)17(20)21/h1-6,18H,15H2,(H,16,19)
InChIKeyOSKWATBCFNLJPQ-UHFFFAOYSA-N
MW291.24 g/mol
LogP2.27
Rot. Bonds3

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

2-amino-5-fluoro-N-(4-hydroxy-2-nitrophenyl)benzamide (PubChem CID 43695935) has the molecular formula C13H10FN3O4 and a molecular weight of 291.24 g/mol. Its IUPAC name is 2-amino-5-fluoro-N-(4-hydroxy-2-nitrophenyl)benzamide.

Molecular Properties

Compound Name2-amino-5-fluoro-N-(4-hydroxy-2-nitrophenyl)benzamide
PubChem CID43695935
Molecular FormulaC13H10FN3O4
Molecular Weight291.24 g/mol
Exact Mass291.07
IUPAC Name2-amino-5-fluoro-N-(4-hydroxy-2-nitrophenyl)benzamide
SMILESNc1ccc(F)cc1C(=O)Nc1ccc(O)cc1[N+](=O)[O-]
InChIInChI=1S/C13H10FN3O4/c14-7-1-3-10(15)9(5-7)13(19)16-11-4-2-8(18)6-12(11)17(20)21/h1-6,18H,15H2,(H,16,19)
InChIKeyOSKWATBCFNLJPQ-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': 'hydroquinone', '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

2-bromo-4-fluoro-N-(4-hydroxy-2-nitrophenyl)benzamide
CID 60954645
N-(4-fluoro-2-nitrophenyl)-4-hydroxybenzamide
CID 110483155
4-fluoro-N-(2-fluoro-4-hydroxyphenyl)-2-nitrobenzamide
CID 75502193
2-[(2-amino-5-fluorobenzoyl)amino]-5-fluorobenzoic acid
CID 61157616
2-amino-N-(2-chloro-4-fluorophenyl)-5-hydroxybenzamide
CID 107073989
2-amino-5-fluoro-N-(2-methyl-4-nitrophenyl)benzamide
CID 43708503
2-amino-5-fluoro-N-(4-nitrophenyl)benzamide
CID 43245709
2-bromo-4-chloro-N-(4-hydroxy-2-nitrophenyl)benzamide
CID 107988108
2-amino-N-(3-chloro-4-nitrophenyl)-5-fluorobenzamide
CID 82865747
(4-fluoro-2-nitrophenyl)urea
CID 69476086
4-bromo-N-(4-hydroxy-2-nitrophenyl)benzamide
CID 60954513
2-bromo-5-fluoro-N-(2-nitrophenyl)benzamide
CID 60667245

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-fluoro-N-(4-hydroxy-2-nitrophenyl)benzamide?
The IUPAC name of 2-amino-5-fluoro-N-(4-hydroxy-2-nitrophenyl)benzamide (CID 43695935) is 2-amino-5-fluoro-N-(4-hydroxy-2-nitrophenyl)benzamide.
What is the SMILES notation for 2-amino-5-fluoro-N-(4-hydroxy-2-nitrophenyl)benzamide?
The canonical SMILES for 2-amino-5-fluoro-N-(4-hydroxy-2-nitrophenyl)benzamide is Nc1ccc(F)cc1C(=O)Nc1ccc(O)cc1[N+](=O)[O-].
What is the InChIKey of 2-amino-5-fluoro-N-(4-hydroxy-2-nitrophenyl)benzamide?
The InChIKey is OSKWATBCFNLJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3O4/c14-7-1-3-10(15)9(5-7)13(19)16-11-4-2-8(18)6-12(11)17(20)21/h1-6,18H,15H2,(H,16,19).
What are the key properties of 2-amino-5-fluoro-N-(4-hydroxy-2-nitrophenyl)benzamide?
2-amino-5-fluoro-N-(4-hydroxy-2-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 2-amino-5-fluoro-N-(4-hydroxy-2-nitrophenyl)benzamide is sourced from PubChem (CID 43695935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).