2-N-naphthalen-1-yl-1-N-(4-nitrophenyl)benzene-1,2-dicarboxamide

C24H17N3O4 — CID 6610544

IUPAC2-N-naphthalen-1-yl-1-N-(4-nitrophenyl)benzene-1,2-dicarboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)c1ccccc1C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C24H17N3O4/c28-23(25-17-12-14-18(15-13-17)27(30)31)20-9-3-4-10-21(20)24(29)26-22-11-5-7-16-6-1-2-8-19(16)22/h1-15H,(H,25,28)(H,26,29)
InChIKeyBFXJHPJNFWVIES-UHFFFAOYSA-N
MW411.42 g/mol
LogP5.25
Rot. Bonds5

About 2-N-naphthalen-1-yl-1-N-(4-nitrophenyl)benzene-1,2-dicarboxamide

2-N-naphthalen-1-yl-1-N-(4-nitrophenyl)benzene-1,2-dicarboxamide (PubChem CID 6610544) has the molecular formula C24H17N3O4 and a molecular weight of 411.42 g/mol. Its IUPAC name is 2-N-naphthalen-1-yl-1-N-(4-nitrophenyl)benzene-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-naphthalen-1-yl-1-N-(4-nitrophenyl)benzene-1,2-dicarboxamide
PubChem CID6610544
Molecular FormulaC24H17N3O4
Molecular Weight411.42 g/mol
Exact Mass411.12
IUPAC Name2-N-naphthalen-1-yl-1-N-(4-nitrophenyl)benzene-1,2-dicarboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)c1ccccc1C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C24H17N3O4/c28-23(25-17-12-14-18(15-13-17)27(30)31)20-9-3-4-10-21(20)24(29)26-22-11-5-7-16-6-1-2-8-19(16)22/h1-15H,(H,25,28)(H,26,29)
InChIKeyBFXJHPJNFWVIES-UHFFFAOYSA-N
XLogP5.25
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.42
LogP ≤ 55.25
H-Bond Donors ≤ 52
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 2-N-naphthalen-1-yl-1-N-(4-nitrophenyl)benzene-1,2-dicarboxamide 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

1-naphthalen-1-yl-3-(4-nitrophenyl)urea
CID 5086557
1-hydroxy-N-(4-nitrophenyl)naphthalene-2-carboxamide
CID 3352872
N-[3-[(4-nitrophenyl)carbamoyl]phenyl]naphthalene-1-carboxamide
CID 34636674
2-(methylamino)-N-naphthalen-1-yl-5-nitrobenzamide
CID 16963020
2-(naphthalen-1-ylcarbamoyl)benzoic acid
CID 67617466
2-(naphthalene-1-carbonylamino)-4-nitrobenzoate
CID 6961900
2-nitro-N-[5-[(2-nitrobenzoyl)amino]naphthalen-1-yl]benzamide
CID 15997975
N-(4-nitrophenyl)-3-oxobenzo[f]chromene-2-carboxamide
CID 3813171
N-naphthalen-1-yl-4-(2,4,6-trinitroanilino)benzamide
CID 2840888
2,3-dichloro-N-(4-nitrophenyl)benzamide
CID 2896612
N'-naphthalen-1-yl-N-(3-nitrophenyl)oxamide
CID 108513330
N-naphthalen-1-yl-3-(4-nitrophenoxy)propanamide
CID 38741242

Frequently Asked Questions

What is the IUPAC name of 2-N-naphthalen-1-yl-1-N-(4-nitrophenyl)benzene-1,2-dicarboxamide?
The IUPAC name of 2-N-naphthalen-1-yl-1-N-(4-nitrophenyl)benzene-1,2-dicarboxamide (CID 6610544) is 2-N-naphthalen-1-yl-1-N-(4-nitrophenyl)benzene-1,2-dicarboxamide.
What is the SMILES notation for 2-N-naphthalen-1-yl-1-N-(4-nitrophenyl)benzene-1,2-dicarboxamide?
The canonical SMILES for 2-N-naphthalen-1-yl-1-N-(4-nitrophenyl)benzene-1,2-dicarboxamide is O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccccc1C(=O)Nc1cccc2ccccc12.
What is the InChIKey of 2-N-naphthalen-1-yl-1-N-(4-nitrophenyl)benzene-1,2-dicarboxamide?
The InChIKey is BFXJHPJNFWVIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N3O4/c28-23(25-17-12-14-18(15-13-17)27(30)31)20-9-3-4-10-21(20)24(29)26-22-11-5-7-16-6-1-2-8-19(16)22/h1-15H,(H,25,28)(H,26,29).
What are the key properties of 2-N-naphthalen-1-yl-1-N-(4-nitrophenyl)benzene-1,2-dicarboxamide?
2-N-naphthalen-1-yl-1-N-(4-nitrophenyl)benzene-1,2-dicarboxamide has a molecular weight of 411.42 g/mol, XLogP of 5.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-naphthalen-1-yl-1-N-(4-nitrophenyl)benzene-1,2-dicarboxamide is sourced from PubChem (CID 6610544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).