N-(4-methoxyphenyl)-2-nitrobenzamide

C14H12N2O4 — CID 789287

IUPACN-(4-methoxyphenyl)-2-nitrobenzamide
SMILESCOc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C14H12N2O4/c1-20-11-8-6-10(7-9-11)15-14(17)12-4-2-3-5-13(12)16(18)19/h2-9H,1H3,(H,15,17)
InChIKeyZAVSYDFJORQSOM-UHFFFAOYSA-N
MW272.26 g/mol
LogP2.86
Rot. Bonds4

About N-(4-methoxyphenyl)-2-nitrobenzamide

N-(4-methoxyphenyl)-2-nitrobenzamide (PubChem CID 789287) has the molecular formula C14H12N2O4 and a molecular weight of 272.26 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-nitrobenzamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-nitrobenzamide
PubChem CID789287
Molecular FormulaC14H12N2O4
Molecular Weight272.26 g/mol
Exact Mass272.08
IUPAC NameN-(4-methoxyphenyl)-2-nitrobenzamide
SMILESCOc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C14H12N2O4/c1-20-11-8-6-10(7-9-11)15-14(17)12-4-2-3-5-13(12)16(18)19/h2-9H,1H3,(H,15,17)
InChIKeyZAVSYDFJORQSOM-UHFFFAOYSA-N
XLogP2.86
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 52.86
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

4-methoxy-3-nitro-N-phenylbenzamide
CID 7331
2-[(4-Methoxyphenyl)amino]benzoic acid
CID 202918
4-Methoxy-N-(4-methoxyphenyl)benzamide
CID 346815
N-(4-methoxyphenyl)-4-methylbenzamide
CID 531829
6-Methoxy-2-phenyl-4-quinolone
CID 124348
4'-Methoxy-3-nitrobenzanilide
CID 306529
N-(4-Methoxyphenyl)benzoic acid amide
CID 139031
N-(4-methoxy-2-nitrophenyl)benzamide
CID 274249
Benzamide, N-(4-ethoxyphenyl)-
CID 203878
Ica-105574
CID 715924
Benzenepropanamide, N-(2-methoxyphenyl)-3-nitro-beta-oxo-
CID 113058
2-Fluoro-N-(4-methoxyphenyl)benzamide
CID 579408

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-nitrobenzamide?
The IUPAC name of N-(4-methoxyphenyl)-2-nitrobenzamide (CID 789287) is N-(4-methoxyphenyl)-2-nitrobenzamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-nitrobenzamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-nitrobenzamide is COc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-nitrobenzamide?
The InChIKey is ZAVSYDFJORQSOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4/c1-20-11-8-6-10(7-9-11)15-14(17)12-4-2-3-5-13(12)16(18)19/h2-9H,1H3,(H,15,17).
What are the key properties of N-(4-methoxyphenyl)-2-nitrobenzamide?
N-(4-methoxyphenyl)-2-nitrobenzamide has a molecular weight of 272.26 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-nitrobenzamide is sourced from PubChem (CID 789287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).