N-(2,5-dimethoxyphenyl)-4-nitrobenzamide

C15H14N2O5 — CID 532160

IUPACN-(2,5-dimethoxyphenyl)-4-nitrobenzamide
SMILESCOc1ccc(OC)c(NC(=O)c2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C15H14N2O5/c1-21-12-7-8-14(22-2)13(9-12)16-15(18)10-3-5-11(6-4-10)17(19)20/h3-9H,1-2H3,(H,16,18)
InChIKeyHUMYECVYADBLCY-UHFFFAOYSA-N
MW302.29 g/mol
LogP2.86
Rot. Bonds5

About N-(2,5-dimethoxyphenyl)-4-nitrobenzamide

N-(2,5-dimethoxyphenyl)-4-nitrobenzamide (PubChem CID 532160) has the molecular formula C15H14N2O5 and a molecular weight of 302.29 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-4-nitrobenzamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-4-nitrobenzamide
PubChem CID532160
Molecular FormulaC15H14N2O5
Molecular Weight302.29 g/mol
Exact Mass302.09
IUPAC NameN-(2,5-dimethoxyphenyl)-4-nitrobenzamide
SMILESCOc1ccc(OC)c(NC(=O)c2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C15H14N2O5/c1-21-12-7-8-14(22-2)13(9-12)16-15(18)10-3-5-11(6-4-10)17(19)20/h3-9H,1-2H3,(H,16,18)
InChIKeyHUMYECVYADBLCY-UHFFFAOYSA-N
XLogP2.86
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

4-methoxy-3-nitro-N-phenylbenzamide
CID 7331
Benzamide, N-(4-amino-2,5-diethoxyphenyl)-
CID 67108
4-chloro-N-(2,5-dimethoxyphenyl)benzamide
CID 307426
N-(4-methoxy-2-nitrophenyl)benzamide
CID 274249
4-amino-N-(2-methoxyphenyl)benzamide
CID 2317363
Benzenepropanamide, N-(2-methoxyphenyl)-3-nitro-beta-oxo-
CID 113058
Fast Blue RR
CID 93116
4-Benzoylamino-2,5-dimethoxyaniline
CID 80442
N-(3-Methoxyphenyl)benzoic acid amide
CID 139369
2-hydroxy-N-(2-methoxy-4-nitrophenyl)benzamide
CID 11254734
N-(2,5-dimethoxyphenyl)-4-methoxybenzamide
CID 532276
3-((4-Nitrobenzoyl)amino)phenyl 4-nitrobenzoate
CID 1718507

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-4-nitrobenzamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-4-nitrobenzamide (CID 532160) is N-(2,5-dimethoxyphenyl)-4-nitrobenzamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-4-nitrobenzamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-4-nitrobenzamide is COc1ccc(OC)c(NC(=O)c2ccc([N+](=O)[O-])cc2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-4-nitrobenzamide?
The InChIKey is HUMYECVYADBLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O5/c1-21-12-7-8-14(22-2)13(9-12)16-15(18)10-3-5-11(6-4-10)17(19)20/h3-9H,1-2H3,(H,16,18).
What are the key properties of N-(2,5-dimethoxyphenyl)-4-nitrobenzamide?
N-(2,5-dimethoxyphenyl)-4-nitrobenzamide has a molecular weight of 302.29 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-4-nitrobenzamide is sourced from PubChem (CID 532160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).