N-(2-naphthalen-1-ylethyl)-2-nitrobenzamide

C19H16N2O3 — CID 19805473

IUPACN-(2-naphthalen-1-ylethyl)-2-nitrobenzamide
SMILESO=C(NCCc1cccc2ccccc12)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C19H16N2O3/c22-19(17-10-3-4-11-18(17)21(23)24)20-13-12-15-8-5-7-14-6-1-2-9-16(14)15/h1-11H,12-13H2,(H,20,22)
InChIKeyGFVNZCCJYSOCJP-UHFFFAOYSA-N
MW320.35 g/mol
LogP3.72
Rot. Bonds5

About N-(2-naphthalen-1-ylethyl)-2-nitrobenzamide

N-(2-naphthalen-1-ylethyl)-2-nitrobenzamide (PubChem CID 19805473) has the molecular formula C19H16N2O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is N-(2-naphthalen-1-ylethyl)-2-nitrobenzamide.

Molecular Properties

Compound NameN-(2-naphthalen-1-ylethyl)-2-nitrobenzamide
PubChem CID19805473
Molecular FormulaC19H16N2O3
Molecular Weight320.35 g/mol
Exact Mass320.12
IUPAC NameN-(2-naphthalen-1-ylethyl)-2-nitrobenzamide
SMILESO=C(NCCc1cccc2ccccc12)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C19H16N2O3/c22-19(17-10-3-4-11-18(17)21(23)24)20-13-12-15-8-5-7-14-6-1-2-9-16(14)15/h1-11H,12-13H2,(H,20,22)
InChIKeyGFVNZCCJYSOCJP-UHFFFAOYSA-N
XLogP3.72
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-chloro-N-(2-naphthalen-1-ylethyl)benzamide
CID 46434104
N-[2-(dimethylamino)ethyl]-2-nitrobenzamide
CID 15287848
N-[(2-fluorophenyl)methyl]-2-nitrobenzamide
CID 7924688
N-(3-chloropropyl)-2-nitrobenzamide
CID 3113440
N-(3-iodopropyl)-2-nitrobenzamide
CID 114504241
N-[2-(diethylamino)ethyl]-2-nitrobenzamide
CID 15943
naphthalen-1-yl-(2-nitrophenyl)methanone
CID 22366378
N-[2-(ethylamino)ethyl]-2-nitrobenzamide
CID 62658043
N-[2-(5-bromothiophen-2-yl)ethyl]-2-nitrobenzamide
CID 26082247
N-[2-[4-(dimethylamino)phenyl]ethyl]-2-nitrobenzamide
CID 16889417
N-[[2-(aminomethyl)phenyl]methyl]-2-nitrobenzamide
CID 62951005
N-[2-(N-methylanilino)ethyl]-2-nitrobenzamide
CID 25395219

Frequently Asked Questions

What is the IUPAC name of N-(2-naphthalen-1-ylethyl)-2-nitrobenzamide?
The IUPAC name of N-(2-naphthalen-1-ylethyl)-2-nitrobenzamide (CID 19805473) is N-(2-naphthalen-1-ylethyl)-2-nitrobenzamide.
What is the SMILES notation for N-(2-naphthalen-1-ylethyl)-2-nitrobenzamide?
The canonical SMILES for N-(2-naphthalen-1-ylethyl)-2-nitrobenzamide is O=C(NCCc1cccc2ccccc12)c1ccccc1[N+](=O)[O-].
What is the InChIKey of N-(2-naphthalen-1-ylethyl)-2-nitrobenzamide?
The InChIKey is GFVNZCCJYSOCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3/c22-19(17-10-3-4-11-18(17)21(23)24)20-13-12-15-8-5-7-14-6-1-2-9-16(14)15/h1-11H,12-13H2,(H,20,22).
What are the key properties of N-(2-naphthalen-1-ylethyl)-2-nitrobenzamide?
N-(2-naphthalen-1-ylethyl)-2-nitrobenzamide has a molecular weight of 320.35 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-naphthalen-1-ylethyl)-2-nitrobenzamide is sourced from PubChem (CID 19805473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).