4-[(4-nitrophenyl)methoxy]benzamide

C14H12N2O4 — CID 7893395

IUPAC4-[(4-nitrophenyl)methoxy]benzamide
SMILESNC(=O)c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C14H12N2O4/c15-14(17)11-3-7-13(8-4-11)20-9-10-1-5-12(6-2-10)16(18)19/h1-8H,9H2,(H2,15,17)
InChIKeyAGXLQYONRJXCKI-UHFFFAOYSA-N
MW272.26 g/mol
LogP2.27
Rot. Bonds5

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

4-[(4-nitrophenyl)methoxy]benzamide (PubChem CID 7893395) has the molecular formula C14H12N2O4 and a molecular weight of 272.26 g/mol. Its IUPAC name is 4-[(4-nitrophenyl)methoxy]benzamide.

Molecular Properties

Compound Name4-[(4-nitrophenyl)methoxy]benzamide
PubChem CID7893395
Molecular FormulaC14H12N2O4
Molecular Weight272.26 g/mol
Exact Mass272.08
IUPAC Name4-[(4-nitrophenyl)methoxy]benzamide
SMILESNC(=O)c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C14H12N2O4/c15-14(17)11-3-7-13(8-4-11)20-9-10-1-5-12(6-2-10)16(18)19/h1-8H,9H2,(H2,15,17)
InChIKeyAGXLQYONRJXCKI-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

3-[(4-nitrophenyl)methoxy]benzamide
CID 18354598
methyl 4-[(4-nitrophenyl)methoxy]benzoate
CID 802052
(4-nitrophenyl)methyl 4-[(4-bromophenoxy)methyl]benzoate
CID 126184969
1-nitro-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 561294
4-[(4-cyanophenoxy)methyl]benzamide
CID 11831905
4-[4-[(4-nitrophenoxy)methyl]-1,3-thiazol-2-yl]benzamide
CID 60564841
1-methyl-4-[(4-nitrophenoxy)methyl]benzene
CID 824912
N-[4-[(4-nitrophenyl)methoxy]phenyl]acetamide
CID 895335
(2S)-2-[[4-[(4-nitrophenyl)methoxy]phenyl]methylamino]propanamide
CID 23625206
3-hydroxy-2-[[4-[(4-nitrophenyl)methoxy]phenyl]methylamino]propanamide
CID 74070896
4-[(4-nitrophenyl)methoxy]benzaldehyde
CID 735836
4-[(4-propoxyphenoxy)methyl]benzamide
CID 24605968

Frequently Asked Questions

What is the IUPAC name of 4-[(4-nitrophenyl)methoxy]benzamide?
The IUPAC name of 4-[(4-nitrophenyl)methoxy]benzamide (CID 7893395) is 4-[(4-nitrophenyl)methoxy]benzamide.
What is the SMILES notation for 4-[(4-nitrophenyl)methoxy]benzamide?
The canonical SMILES for 4-[(4-nitrophenyl)methoxy]benzamide is NC(=O)c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of 4-[(4-nitrophenyl)methoxy]benzamide?
The InChIKey is AGXLQYONRJXCKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4/c15-14(17)11-3-7-13(8-4-11)20-9-10-1-5-12(6-2-10)16(18)19/h1-8H,9H2,(H2,15,17).
What are the key properties of 4-[(4-nitrophenyl)methoxy]benzamide?
4-[(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 4-[(4-nitrophenyl)methoxy]benzamide is sourced from PubChem (CID 7893395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).