3-[(4-nitrophenyl)methoxy]benzamide

C14H12N2O4 — CID 18354598

IUPAC3-[(4-nitrophenyl)methoxy]benzamide
SMILESNC(=O)c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C14H12N2O4/c15-14(17)11-2-1-3-13(8-11)20-9-10-4-6-12(7-5-10)16(18)19/h1-8H,9H2,(H2,15,17)
InChIKeyFCYHTPKGLYBKFW-UHFFFAOYSA-N
MW272.26 g/mol
LogP2.27
Rot. Bonds5

About 3-[(4-nitrophenyl)methoxy]benzamide

3-[(4-nitrophenyl)methoxy]benzamide (PubChem CID 18354598) has the molecular formula C14H12N2O4 and a molecular weight of 272.26 g/mol. Its IUPAC name is 3-[(4-nitrophenyl)methoxy]benzamide.

Molecular Properties

Compound Name3-[(4-nitrophenyl)methoxy]benzamide
PubChem CID18354598
Molecular FormulaC14H12N2O4
Molecular Weight272.26 g/mol
Exact Mass272.08
IUPAC Name3-[(4-nitrophenyl)methoxy]benzamide
SMILESNC(=O)c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C14H12N2O4/c15-14(17)11-2-1-3-13(8-11)20-9-10-4-6-12(7-5-10)16(18)19/h1-8H,9H2,(H2,15,17)
InChIKeyFCYHTPKGLYBKFW-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'}

Analyze 3-[(4-nitrophenyl)methoxy]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(4-nitrophenyl)methoxy]benzamide
CID 7893395
3-[(4-cyanophenyl)methoxy]benzamide
CID 18354600
3-[(4-fluorophenyl)methoxy]benzamide
CID 18354605
1-fluoro-3-[(4-nitrophenyl)methoxy]benzene
CID 22137955
3-[(3-carbamoylphenoxy)methyl]benzoic acid
CID 24710779
4-[(3-nitrophenoxy)methyl]benzenecarboximidamide
CID 61032290
1-[(4-nitrophenyl)methoxy]-3-propan-2-ylbenzene
CID 155228250
3-[(4-nitrophenoxy)methyl]benzoic acid
CID 7015977
3-[(3-nitrophenoxy)methyl]benzoic acid
CID 14974400
3-[[5-(hydrazinecarbonyl)furan-2-yl]methoxy]benzamide
CID 63575860
2-benzamido-3-[3-[(4-nitrophenyl)methoxy]phenyl]prop-2-enoic acid
CID 4769102
benzyl 3-(4-nitrophenoxy)benzoate
CID 957442

Frequently Asked Questions

What is the IUPAC name of 3-[(4-nitrophenyl)methoxy]benzamide?
The IUPAC name of 3-[(4-nitrophenyl)methoxy]benzamide (CID 18354598) is 3-[(4-nitrophenyl)methoxy]benzamide.
What is the SMILES notation for 3-[(4-nitrophenyl)methoxy]benzamide?
The canonical SMILES for 3-[(4-nitrophenyl)methoxy]benzamide is NC(=O)c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1.
What is the InChIKey of 3-[(4-nitrophenyl)methoxy]benzamide?
The InChIKey is FCYHTPKGLYBKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4/c15-14(17)11-2-1-3-13(8-11)20-9-10-4-6-12(7-5-10)16(18)19/h1-8H,9H2,(H2,15,17).
What are the key properties of 3-[(4-nitrophenyl)methoxy]benzamide?
3-[(4-nitrophenyl)methoxy]benzamide 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-[(4-nitrophenyl)methoxy]benzamide is sourced from PubChem (CID 18354598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).