naphthalen-1-yl-(2-nitrophenyl)methanone

C17H11NO3 — CID 22366378

IUPACnaphthalen-1-yl-(2-nitrophenyl)methanone
SMILESO=C(c1ccccc1[N+](=O)[O-])c1cccc2ccccc12
InChIInChI=1S/C17H11NO3/c19-17(15-9-3-4-11-16(15)18(20)21)14-10-5-7-12-6-1-2-8-13(12)14/h1-11H
InChIKeyPWNXILBHNVXPTE-UHFFFAOYSA-N
MW277.28 g/mol
LogP3.98
Rot. Bonds3

About naphthalen-1-yl-(2-nitrophenyl)methanone

naphthalen-1-yl-(2-nitrophenyl)methanone (PubChem CID 22366378) has the molecular formula C17H11NO3 and a molecular weight of 277.28 g/mol. Its IUPAC name is naphthalen-1-yl-(2-nitrophenyl)methanone.

Molecular Properties

Compound Namenaphthalen-1-yl-(2-nitrophenyl)methanone
PubChem CID22366378
Molecular FormulaC17H11NO3
Molecular Weight277.28 g/mol
Exact Mass277.07
IUPAC Namenaphthalen-1-yl-(2-nitrophenyl)methanone
SMILESO=C(c1ccccc1[N+](=O)[O-])c1cccc2ccccc12
InChIInChI=1S/C17H11NO3/c19-17(15-9-3-4-11-16(15)18(20)21)14-10-5-7-12-6-1-2-8-13(12)14/h1-11H
InChIKeyPWNXILBHNVXPTE-UHFFFAOYSA-N
XLogP3.98
TPSA60.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 53.98
H-Bond Donors ≤ 50
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'}

Analyze naphthalen-1-yl-(2-nitrophenyl)methanone 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-nitronaphthalene;hydrate
CID 174470741
(2-nitrophenyl)methyl naphthalene-1-carboxylate
CID 4572796
1,2-bis(2-nitrophenyl)ethane-1,2-dione
CID 15851155
N-(2-naphthalen-1-ylethyl)-2-nitrobenzamide
CID 19805473
formonitrile;1-nitronaphthalene
CID 174387830
benzene;2-nitrobenzoic acid
CID 19891435
methyl 2-(2-nitrobenzoyl)benzoate
CID 174908464
4-nitrophenanthrene
CID 139058403
azanylidyneazanium;1-nitronaphthalene;chloride
CID 23454944
1,1'-biphenyl;1-nitronaphthalene
CID 174805071
acetic acid;(2-nitrophenyl)-phenylmethanone
CID 172806545
methanimine;(2-nitrophenyl)-phenylmethanone
CID 174799548

Frequently Asked Questions

What is the IUPAC name of naphthalen-1-yl-(2-nitrophenyl)methanone?
The IUPAC name of naphthalen-1-yl-(2-nitrophenyl)methanone (CID 22366378) is naphthalen-1-yl-(2-nitrophenyl)methanone.
What is the SMILES notation for naphthalen-1-yl-(2-nitrophenyl)methanone?
The canonical SMILES for naphthalen-1-yl-(2-nitrophenyl)methanone is O=C(c1ccccc1[N+](=O)[O-])c1cccc2ccccc12.
What is the InChIKey of naphthalen-1-yl-(2-nitrophenyl)methanone?
The InChIKey is PWNXILBHNVXPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11NO3/c19-17(15-9-3-4-11-16(15)18(20)21)14-10-5-7-12-6-1-2-8-13(12)14/h1-11H.
What are the key properties of naphthalen-1-yl-(2-nitrophenyl)methanone?
naphthalen-1-yl-(2-nitrophenyl)methanone has a molecular weight of 277.28 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-yl-(2-nitrophenyl)methanone is sourced from PubChem (CID 22366378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).