2-methyl-N-naphthalen-1-yl-3-nitrobenzamide

C18H14N2O3 — CID 773737

IUPAC2-methyl-N-naphthalen-1-yl-3-nitrobenzamide
SMILESCc1c(C(=O)Nc2cccc3ccccc23)cccc1[N+](=O)[O-]
InChIInChI=1S/C18H14N2O3/c1-12-14(9-5-11-17(12)20(22)23)18(21)19-16-10-4-7-13-6-2-3-8-15(13)16/h2-11H,1H3,(H,19,21)
InChIKeyPVEPMZABJVMJCU-UHFFFAOYSA-N
MW306.32 g/mol
LogP4.31
Rot. Bonds3

About 2-methyl-N-naphthalen-1-yl-3-nitrobenzamide

2-methyl-N-naphthalen-1-yl-3-nitrobenzamide (PubChem CID 773737) has the molecular formula C18H14N2O3 and a molecular weight of 306.32 g/mol. Its IUPAC name is 2-methyl-N-naphthalen-1-yl-3-nitrobenzamide.

Molecular Properties

Compound Name2-methyl-N-naphthalen-1-yl-3-nitrobenzamide
PubChem CID773737
Molecular FormulaC18H14N2O3
Molecular Weight306.32 g/mol
Exact Mass306.10
IUPAC Name2-methyl-N-naphthalen-1-yl-3-nitrobenzamide
SMILESCc1c(C(=O)Nc2cccc3ccccc23)cccc1[N+](=O)[O-]
InChIInChI=1S/C18H14N2O3/c1-12-14(9-5-11-17(12)20(22)23)18(21)19-16-10-4-7-13-6-2-3-8-15(13)16/h2-11H,1H3,(H,19,21)
InChIKeyPVEPMZABJVMJCU-UHFFFAOYSA-N
XLogP4.31
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 54.31
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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-naphthalen-1-yl-3-nitrobenzamide?
The IUPAC name of 2-methyl-N-naphthalen-1-yl-3-nitrobenzamide (CID 773737) is 2-methyl-N-naphthalen-1-yl-3-nitrobenzamide.
What is the SMILES notation for 2-methyl-N-naphthalen-1-yl-3-nitrobenzamide?
The canonical SMILES for 2-methyl-N-naphthalen-1-yl-3-nitrobenzamide is Cc1c(C(=O)Nc2cccc3ccccc23)cccc1[N+](=O)[O-].
What is the InChIKey of 2-methyl-N-naphthalen-1-yl-3-nitrobenzamide?
The InChIKey is PVEPMZABJVMJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O3/c1-12-14(9-5-11-17(12)20(22)23)18(21)19-16-10-4-7-13-6-2-3-8-15(13)16/h2-11H,1H3,(H,19,21).
What are the key properties of 2-methyl-N-naphthalen-1-yl-3-nitrobenzamide?
2-methyl-N-naphthalen-1-yl-3-nitrobenzamide has a molecular weight of 306.32 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-naphthalen-1-yl-3-nitrobenzamide is sourced from PubChem (CID 773737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).