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

C13H11N3O4 — CID 43695956

IUPAC3-amino-N-(4-hydroxy-2-nitrophenyl)benzamide
SMILESNc1cccc(C(=O)Nc2ccc(O)cc2[N+](=O)[O-])c1
InChIInChI=1S/C13H11N3O4/c14-9-3-1-2-8(6-9)13(18)15-11-5-4-10(17)7-12(11)16(19)20/h1-7,17H,14H2,(H,15,18)
InChIKeyXTVILGZJCLJJMK-UHFFFAOYSA-N
MW273.25 g/mol
LogP2.13
Rot. Bonds3

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

3-amino-N-(4-hydroxy-2-nitrophenyl)benzamide (PubChem CID 43695956) has the molecular formula C13H11N3O4 and a molecular weight of 273.25 g/mol. Its IUPAC name is 3-amino-N-(4-hydroxy-2-nitrophenyl)benzamide.

Molecular Properties

Compound Name3-amino-N-(4-hydroxy-2-nitrophenyl)benzamide
PubChem CID43695956
Molecular FormulaC13H11N3O4
Molecular Weight273.25 g/mol
Exact Mass273.07
IUPAC Name3-amino-N-(4-hydroxy-2-nitrophenyl)benzamide
SMILESNc1cccc(C(=O)Nc2ccc(O)cc2[N+](=O)[O-])c1
InChIInChI=1S/C13H11N3O4/c14-9-3-1-2-8(6-9)13(18)15-11-5-4-10(17)7-12(11)16(19)20/h1-7,17H,14H2,(H,15,18)
InChIKeyXTVILGZJCLJJMK-UHFFFAOYSA-N
XLogP2.13
TPSA118.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 52.13
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

4-bromo-N-(4-hydroxy-2-nitrophenyl)benzamide
CID 60954513
3-amino-N-(3-bromo-4-nitrophenyl)benzamide
CID 82864982
3-amino-N-(2-hydroxy-5-nitrophenyl)benzamide
CID 107744509
1-N,3-N-bis(2,4-dinitrophenyl)benzene-1,3-dicarboxamide
CID 628714
N-(2,4-dinitrophenyl)-3-nitrobenzamide
CID 3427628
2,6-dichloro-N-(4-hydroxy-2-nitrophenyl)pyridine-4-carboxamide
CID 61041536
N-(4-amino-2-nitrophenyl)-4-nitrobenzamide
CID 3089914
N-(4-hydroxy-2-nitrophenyl)-1H-pyrazole-4-carboxamide
CID 61259784
2-amino-5-fluoro-N-(4-hydroxy-2-nitrophenyl)benzamide
CID 43695935
N-(4-fluoro-2-nitrophenyl)-4-hydroxybenzamide
CID 110483155
N-(5-fluoro-2-nitrophenyl)-3-hydroxybenzamide
CID 110462704
N-(4-iodo-2-nitrophenyl)benzamide
CID 177460424

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-hydroxy-2-nitrophenyl)benzamide?
The IUPAC name of 3-amino-N-(4-hydroxy-2-nitrophenyl)benzamide (CID 43695956) is 3-amino-N-(4-hydroxy-2-nitrophenyl)benzamide.
What is the SMILES notation for 3-amino-N-(4-hydroxy-2-nitrophenyl)benzamide?
The canonical SMILES for 3-amino-N-(4-hydroxy-2-nitrophenyl)benzamide is Nc1cccc(C(=O)Nc2ccc(O)cc2[N+](=O)[O-])c1.
What is the InChIKey of 3-amino-N-(4-hydroxy-2-nitrophenyl)benzamide?
The InChIKey is XTVILGZJCLJJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O4/c14-9-3-1-2-8(6-9)13(18)15-11-5-4-10(17)7-12(11)16(19)20/h1-7,17H,14H2,(H,15,18).
What are the key properties of 3-amino-N-(4-hydroxy-2-nitrophenyl)benzamide?
3-amino-N-(4-hydroxy-2-nitrophenyl)benzamide has a molecular weight of 273.25 g/mol, XLogP of 2.13, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-hydroxy-2-nitrophenyl)benzamide is sourced from PubChem (CID 43695956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).