3-nitro-2-phenylmethoxybenzamide

C14H12N2O4 — CID 18551383

IUPAC3-nitro-2-phenylmethoxybenzamide
SMILESNC(=O)c1cccc([N+](=O)[O-])c1OCc1ccccc1
InChIInChI=1S/C14H12N2O4/c15-14(17)11-7-4-8-12(16(18)19)13(11)20-9-10-5-2-1-3-6-10/h1-8H,9H2,(H2,15,17)
InChIKeyMYKQIPVQOFFEQP-UHFFFAOYSA-N
MW272.26 g/mol
LogP2.27
Rot. Bonds5

About 3-nitro-2-phenylmethoxybenzamide

3-nitro-2-phenylmethoxybenzamide (PubChem CID 18551383) has the molecular formula C14H12N2O4 and a molecular weight of 272.26 g/mol. Its IUPAC name is 3-nitro-2-phenylmethoxybenzamide.

Molecular Properties

Compound Name3-nitro-2-phenylmethoxybenzamide
PubChem CID18551383
Molecular FormulaC14H12N2O4
Molecular Weight272.26 g/mol
Exact Mass272.08
IUPAC Name3-nitro-2-phenylmethoxybenzamide
SMILESNC(=O)c1cccc([N+](=O)[O-])c1OCc1ccccc1
InChIInChI=1S/C14H12N2O4/c15-14(17)11-7-4-8-12(16(18)19)13(11)20-9-10-5-2-1-3-6-10/h1-8H,9H2,(H2,15,17)
InChIKeyMYKQIPVQOFFEQP-UHFFFAOYSA-N
XLogP2.27
TPSA95.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-3-nitrobenzamide;methane
CID 158767185
heptyl 2-[(3-nitro-2-phenylmethoxybenzoyl)amino]propanoate
CID 139920460
benzyl 2-fluoro-3-nitrobenzoate
CID 169449001
benzyl carbamate;(2-nitrophenyl)-phenylmethanone
CID 175296200
2-(4-chlorophenoxy)-3-nitrobenzamide
CID 141017778
2-[(2-amino-3-nitrophenyl)methoxy]benzamide
CID 107352179
2-chloro-3-nitro-N-phenylmethoxybenzamide
CID 107856439
sodium;2-nitrobenzamide;chloride;hydrochloride
CID 67948148
3-nitro-2-(4-phenylmethoxyanilino)benzoic acid
CID 54570148
2-nitro-N-(3-phenylmethoxyphenyl)benzamide
CID 17085980
2-[2-(3-chloro-2-phenylmethoxyphenyl)phenyl]benzamide
CID 69309565
3-(4-nitrophenyl)-2-phenylmethoxybenzoic acid
CID 70183930

Frequently Asked Questions

What is the IUPAC name of 3-nitro-2-phenylmethoxybenzamide?
The IUPAC name of 3-nitro-2-phenylmethoxybenzamide (CID 18551383) is 3-nitro-2-phenylmethoxybenzamide.
What is the SMILES notation for 3-nitro-2-phenylmethoxybenzamide?
The canonical SMILES for 3-nitro-2-phenylmethoxybenzamide is NC(=O)c1cccc([N+](=O)[O-])c1OCc1ccccc1.
What is the InChIKey of 3-nitro-2-phenylmethoxybenzamide?
The InChIKey is MYKQIPVQOFFEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4/c15-14(17)11-7-4-8-12(16(18)19)13(11)20-9-10-5-2-1-3-6-10/h1-8H,9H2,(H2,15,17).
What are the key properties of 3-nitro-2-phenylmethoxybenzamide?
3-nitro-2-phenylmethoxybenzamide has a molecular weight of 272.26 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-2-phenylmethoxybenzamide is sourced from PubChem (CID 18551383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).