N-naphthalen-1-yl-3,5-dinitrobenzamide

C17H11N3O5 — CID 3116544

IUPACN-naphthalen-1-yl-3,5-dinitrobenzamide
SMILESO=C(Nc1cccc2ccccc12)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1
InChIInChI=1S/C17H11N3O5/c21-17(12-8-13(19(22)23)10-14(9-12)20(24)25)18-16-7-3-5-11-4-1-2-6-15(11)16/h1-10H,(H,18,21)
InChIKeyHXNJCSPTZLUSKA-UHFFFAOYSA-N
MW337.29 g/mol
LogP3.91
Rot. Bonds4

About N-naphthalen-1-yl-3,5-dinitrobenzamide

N-naphthalen-1-yl-3,5-dinitrobenzamide (PubChem CID 3116544) has the molecular formula C17H11N3O5 and a molecular weight of 337.29 g/mol. Its IUPAC name is N-naphthalen-1-yl-3,5-dinitrobenzamide.

Molecular Properties

Compound NameN-naphthalen-1-yl-3,5-dinitrobenzamide
PubChem CID3116544
Molecular FormulaC17H11N3O5
Molecular Weight337.29 g/mol
Exact Mass337.07
IUPAC NameN-naphthalen-1-yl-3,5-dinitrobenzamide
SMILESO=C(Nc1cccc2ccccc12)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1
InChIInChI=1S/C17H11N3O5/c21-17(12-8-13(19(22)23)10-14(9-12)20(24)25)18-16-7-3-5-11-4-1-2-6-15(11)16/h1-10H,(H,18,21)
InChIKeyHXNJCSPTZLUSKA-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

Benzamide, N-(3-nitrophenyl)-
CID 78503
Benzamide, N-(1-naphthyl)-4-methyl-
CID 531834
N-1-Naphthylbenzamide
CID 69448
2-Nitro-6(5H)-phenanthridinone
CID 157180
N-(2-Methyl-5-nitrophenyl)benzamide
CID 269062
N-(2-(Benzoylamino)-4-nitrophenyl)benzamide
CID 3655259
4-Nitro-N-(3-((4-nitrobenzoyl)amino)phenyl)benzamide
CID 5022541
4-Nitro-2-(2-phenylacetamido)benzamide
CID 44414909
N-(1-Naphthyl)-4-nitrobenzamide
CID 710793
2-amino-N-(naphthalen-1-yl)benzamide
CID 851964
N-(naphthalen-2-yl)-3-nitrobenzamide
CID 3822603
N-(2,3-dihydro-1H-inden-5-yl)-2-methyl-3-nitrobenzamide
CID 903991

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-3,5-dinitrobenzamide?
The IUPAC name of N-naphthalen-1-yl-3,5-dinitrobenzamide (CID 3116544) is N-naphthalen-1-yl-3,5-dinitrobenzamide.
What is the SMILES notation for N-naphthalen-1-yl-3,5-dinitrobenzamide?
The canonical SMILES for N-naphthalen-1-yl-3,5-dinitrobenzamide is O=C(Nc1cccc2ccccc12)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1.
What is the InChIKey of N-naphthalen-1-yl-3,5-dinitrobenzamide?
The InChIKey is HXNJCSPTZLUSKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3O5/c21-17(12-8-13(19(22)23)10-14(9-12)20(24)25)18-16-7-3-5-11-4-1-2-6-15(11)16/h1-10H,(H,18,21).
What are the key properties of N-naphthalen-1-yl-3,5-dinitrobenzamide?
N-naphthalen-1-yl-3,5-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-1-yl-3,5-dinitrobenzamide is sourced from PubChem (CID 3116544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).