N-naphthalen-2-yl-2,4-dinitrobenzamide

C17H11N3O5 — CID 3090080

IUPACN-naphthalen-2-yl-2,4-dinitrobenzamide
SMILESO=C(Nc1ccc2ccccc2c1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C17H11N3O5/c21-17(15-8-7-14(19(22)23)10-16(15)20(24)25)18-13-6-5-11-3-1-2-4-12(11)9-13/h1-10H,(H,18,21)
InChIKeyVKELTWYJHFBROB-UHFFFAOYSA-N
MW337.29 g/mol
LogP3.91
Rot. Bonds4

About N-naphthalen-2-yl-2,4-dinitrobenzamide

N-naphthalen-2-yl-2,4-dinitrobenzamide (PubChem CID 3090080) has the molecular formula C17H11N3O5 and a molecular weight of 337.29 g/mol. Its IUPAC name is N-naphthalen-2-yl-2,4-dinitrobenzamide.

Molecular Properties

Compound NameN-naphthalen-2-yl-2,4-dinitrobenzamide
PubChem CID3090080
Molecular FormulaC17H11N3O5
Molecular Weight337.29 g/mol
Exact Mass337.07
IUPAC NameN-naphthalen-2-yl-2,4-dinitrobenzamide
SMILESO=C(Nc1ccc2ccccc2c1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C17H11N3O5/c21-17(15-8-7-14(19(22)23)10-16(15)20(24)25)18-13-6-5-11-3-1-2-4-12(11)9-13/h1-10H,(H,18,21)
InChIKeyVKELTWYJHFBROB-UHFFFAOYSA-N
XLogP3.91
TPSA115.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.29
LogP ≤ 53.91
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

2-(naphthalen-2-ylcarbamoyl)-5-nitrobenzoic acid
CID 679720
4-chloro-N-naphthalen-2-yl-2-nitrobenzamide
CID 896015
2-(dimethylamino)-N-naphthalen-2-yl-5-nitrobenzamide
CID 8762252
N-[4-[3-[4-[(2,4-dinitrobenzoyl)amino]phenoxy]phenoxy]phenyl]-2,4-dinitrobenzamide
CID 3095747
N-naphthalen-2-yl-5-nitro-2-pyrrolidin-1-ylbenzamide
CID 9068527
N-(3-chloro-4-fluorophenyl)-2,4-dinitrobenzamide
CID 2852992
N-[4-(difluoromethoxy)phenyl]-2,4-dinitrobenzamide
CID 2315816
N-(2-bromophenyl)-2,4-dinitrobenzamide
CID 4244481
1-hydroxy-N-(4-nitrophenyl)naphthalene-2-carboxamide
CID 3352872
N-[3-methoxy-4-(2-oxochromen-3-yl)phenyl]-2,4-dinitrobenzamide
CID 3814558
dimethyl 5-[(2,4-dinitrobenzoyl)amino]benzene-1,3-dicarboxylate
CID 5094834
N-(2-ethylphenyl)-2,4-dinitrobenzamide
CID 4582085

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-2,4-dinitrobenzamide?
The IUPAC name of N-naphthalen-2-yl-2,4-dinitrobenzamide (CID 3090080) is N-naphthalen-2-yl-2,4-dinitrobenzamide.
What is the SMILES notation for N-naphthalen-2-yl-2,4-dinitrobenzamide?
The canonical SMILES for N-naphthalen-2-yl-2,4-dinitrobenzamide is O=C(Nc1ccc2ccccc2c1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-].
What is the InChIKey of N-naphthalen-2-yl-2,4-dinitrobenzamide?
The InChIKey is VKELTWYJHFBROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3O5/c21-17(15-8-7-14(19(22)23)10-16(15)20(24)25)18-13-6-5-11-3-1-2-4-12(11)9-13/h1-10H,(H,18,21).
What are the key properties of N-naphthalen-2-yl-2,4-dinitrobenzamide?
N-naphthalen-2-yl-2,4-dinitrobenzamide has a molecular weight of 337.29 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-2-yl-2,4-dinitrobenzamide is sourced from PubChem (CID 3090080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).