N-benzyl-N-phenylnitrous amide

C13H12N2O — CID 11935

IUPACN-benzyl-N-phenylnitrous amide
SMILESO=NN(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C13H12N2O/c16-14-15(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10H,11H2
InChIKeyBCIBCBXFXGKGBL-UHFFFAOYSA-N
MW212.25 g/mol
LogP3.37
Rot. Bonds4

About N-benzyl-N-phenylnitrous amide

N-benzyl-N-phenylnitrous amide (PubChem CID 11935) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is N-benzyl-N-phenylnitrous amide.

Molecular Properties

Compound NameN-benzyl-N-phenylnitrous amide
PubChem CID11935
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC NameN-benzyl-N-phenylnitrous amide
SMILESO=NN(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C13H12N2O/c16-14-15(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10H,11H2
InChIKeyBCIBCBXFXGKGBL-UHFFFAOYSA-N
XLogP3.37
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-nitroso', '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 N-benzyl-N-phenylnitrous amide?
The IUPAC name of N-benzyl-N-phenylnitrous amide (CID 11935) is N-benzyl-N-phenylnitrous amide.
What is the SMILES notation for N-benzyl-N-phenylnitrous amide?
The canonical SMILES for N-benzyl-N-phenylnitrous amide is O=NN(Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-benzyl-N-phenylnitrous amide?
The InChIKey is BCIBCBXFXGKGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O/c16-14-15(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10H,11H2.
What are the key properties of N-benzyl-N-phenylnitrous amide?
N-benzyl-N-phenylnitrous amide has a molecular weight of 212.25 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-phenylnitrous amide is sourced from PubChem (CID 11935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).