2-[(2-amino-3-nitrophenyl)methoxy]benzamide

C14H13N3O4 — CID 107352179

IUPAC2-[(2-amino-3-nitrophenyl)methoxy]benzamide
SMILESNC(=O)c1ccccc1OCc1cccc([N+](=O)[O-])c1N
InChIInChI=1S/C14H13N3O4/c15-13-9(4-3-6-11(13)17(19)20)8-21-12-7-2-1-5-10(12)14(16)18/h1-7H,8,15H2,(H2,16,18)
InChIKeySLCZUMSVBINLNO-UHFFFAOYSA-N
MW287.28 g/mol
LogP1.85
Rot. Bonds5

About 2-[(2-amino-3-nitrophenyl)methoxy]benzamide

2-[(2-amino-3-nitrophenyl)methoxy]benzamide (PubChem CID 107352179) has the molecular formula C14H13N3O4 and a molecular weight of 287.28 g/mol. Its IUPAC name is 2-[(2-amino-3-nitrophenyl)methoxy]benzamide.

Molecular Properties

Compound Name2-[(2-amino-3-nitrophenyl)methoxy]benzamide
PubChem CID107352179
Molecular FormulaC14H13N3O4
Molecular Weight287.28 g/mol
Exact Mass287.09
IUPAC Name2-[(2-amino-3-nitrophenyl)methoxy]benzamide
SMILESNC(=O)c1ccccc1OCc1cccc([N+](=O)[O-])c1N
InChIInChI=1S/C14H13N3O4/c15-13-9(4-3-6-11(13)17(19)20)8-21-12-7-2-1-5-10(12)14(16)18/h1-7H,8,15H2,(H2,16,18)
InChIKeySLCZUMSVBINLNO-UHFFFAOYSA-N
XLogP1.85
TPSA121.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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-[(2-bromo-5-fluorophenoxy)methyl]-6-nitroaniline
CID 107352443
2-[(2-methylphenyl)methoxy]benzamide
CID 7642222
2-[2-(2-nitroanilino)-2-oxoethoxy]benzamide
CID 38858639
1,2,3-tris[(2-nitrophenyl)methoxy]benzene
CID 139940652
2-[[2-[(E)-4-[2-[(2-carbamoylphenoxy)methyl]phenoxy]but-2-enoxy]phenyl]methoxy]benzamide
CID 134973783
2-[(3,5-difluorophenoxy)methyl]-6-nitroaniline
CID 107352365
3-nitro-2-phenylmethoxybenzamide
CID 18551383
2-nitro-6-[(3-nitrophenoxy)methyl]aniline
CID 107352074
2-[(3,5-dichlorophenoxy)methyl]-6-nitroaniline
CID 107352316
N-[4-(2-carbamoylphenoxy)but-2-ynyl]-2-nitrobenzamide
CID 90580480
2-amino-3-[2-(2-nitrophenyl)ethyl]benzoic acid
CID 107367819
2-[(2-amino-5-fluorophenyl)methoxy]benzamide
CID 43443894

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-3-nitrophenyl)methoxy]benzamide?
The IUPAC name of 2-[(2-amino-3-nitrophenyl)methoxy]benzamide (CID 107352179) is 2-[(2-amino-3-nitrophenyl)methoxy]benzamide.
What is the SMILES notation for 2-[(2-amino-3-nitrophenyl)methoxy]benzamide?
The canonical SMILES for 2-[(2-amino-3-nitrophenyl)methoxy]benzamide is NC(=O)c1ccccc1OCc1cccc([N+](=O)[O-])c1N.
What is the InChIKey of 2-[(2-amino-3-nitrophenyl)methoxy]benzamide?
The InChIKey is SLCZUMSVBINLNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4/c15-13-9(4-3-6-11(13)17(19)20)8-21-12-7-2-1-5-10(12)14(16)18/h1-7H,8,15H2,(H2,16,18).
What are the key properties of 2-[(2-amino-3-nitrophenyl)methoxy]benzamide?
2-[(2-amino-3-nitrophenyl)methoxy]benzamide has a molecular weight of 287.28 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-3-nitrophenyl)methoxy]benzamide is sourced from PubChem (CID 107352179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).