N-(4-methoxynaphthalen-1-yl)-4-nitrobenzamide

C18H14N2O4 — CID 4049338

IUPACN-(4-methoxynaphthalen-1-yl)-4-nitrobenzamide
SMILESCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc12
InChIInChI=1S/C18H14N2O4/c1-24-17-11-10-16(14-4-2-3-5-15(14)17)19-18(21)12-6-8-13(9-7-12)20(22)23/h2-11H,1H3,(H,19,21)
InChIKeyZGIWSVLMUXDXNN-UHFFFAOYSA-N
MW322.32 g/mol
LogP4.01
Rot. Bonds4

About N-(4-methoxynaphthalen-1-yl)-4-nitrobenzamide

N-(4-methoxynaphthalen-1-yl)-4-nitrobenzamide (PubChem CID 4049338) has the molecular formula C18H14N2O4 and a molecular weight of 322.32 g/mol. Its IUPAC name is N-(4-methoxynaphthalen-1-yl)-4-nitrobenzamide.

Molecular Properties

Compound NameN-(4-methoxynaphthalen-1-yl)-4-nitrobenzamide
PubChem CID4049338
Molecular FormulaC18H14N2O4
Molecular Weight322.32 g/mol
Exact Mass322.10
IUPAC NameN-(4-methoxynaphthalen-1-yl)-4-nitrobenzamide
SMILESCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc12
InChIInChI=1S/C18H14N2O4/c1-24-17-11-10-16(14-4-2-3-5-15(14)17)19-18(21)12-6-8-13(9-7-12)20(22)23/h2-11H,1H3,(H,19,21)
InChIKeyZGIWSVLMUXDXNN-UHFFFAOYSA-N
XLogP4.01
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 54.01
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 N-(4-methoxynaphthalen-1-yl)-4-nitrobenzamide 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-tert-butyl-N-(4-methoxynaphthalen-1-yl)benzamide
CID 2332529
4-benzamido-N-(2-methoxy-4-nitrophenyl)benzamide
CID 17153277
N-(4-methoxynaphthalen-1-yl)-5-nitrothiophene-2-carboxamide
CID 2318964
N-(3-hydroxy-4-methoxyphenyl)-4-nitrobenzamide
CID 7478754
4-methoxy-N-(2-methoxy-5-nitrophenyl)benzamide
CID 871212
N-(2-acetamidophenyl)-4-nitrobenzamide
CID 3737317
4-bromo-N-(2-methoxy-4-nitrophenyl)benzamide
CID 5234028
1-N,3-N-bis(2-methoxy-4-nitrophenyl)benzene-1,3-dicarboxamide
CID 4588723
N-[2-[[(4-methoxybenzoyl)amino]carbamoyl]phenyl]-4-nitrobenzamide
CID 126001886
3-chloro-4-methoxy-N-(2-methoxy-4-nitrophenyl)benzamide
CID 2915297
N-(1,2-dihydroacenaphthylen-5-yl)-4-methoxy-3-nitrobenzamide
CID 1121272
N-(2-methoxyphenyl)-4-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]benzamide
CID 9244896

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxynaphthalen-1-yl)-4-nitrobenzamide?
The IUPAC name of N-(4-methoxynaphthalen-1-yl)-4-nitrobenzamide (CID 4049338) is N-(4-methoxynaphthalen-1-yl)-4-nitrobenzamide.
What is the SMILES notation for N-(4-methoxynaphthalen-1-yl)-4-nitrobenzamide?
The canonical SMILES for N-(4-methoxynaphthalen-1-yl)-4-nitrobenzamide is COc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc12.
What is the InChIKey of N-(4-methoxynaphthalen-1-yl)-4-nitrobenzamide?
The InChIKey is ZGIWSVLMUXDXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O4/c1-24-17-11-10-16(14-4-2-3-5-15(14)17)19-18(21)12-6-8-13(9-7-12)20(22)23/h2-11H,1H3,(H,19,21).
What are the key properties of N-(4-methoxynaphthalen-1-yl)-4-nitrobenzamide?
N-(4-methoxynaphthalen-1-yl)-4-nitrobenzamide has a molecular weight of 322.32 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxynaphthalen-1-yl)-4-nitrobenzamide is sourced from PubChem (CID 4049338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).