N,N-diphenylnitrous amide

C12H10N2O — CID 6838

IUPACN,N-diphenylnitrous amide
SMILESO=NN(c1ccccc1)c1ccccc1
InChIInChI=1S/C12H10N2O/c15-13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
InChIKeyUBUCNCOMADRQHX-UHFFFAOYSA-N
MW198.22 g/mol
LogP3.51
Rot. Bonds3

About N,N-diphenylnitrous amide

N,N-diphenylnitrous amide (PubChem CID 6838) has the molecular formula C12H10N2O and a molecular weight of 198.22 g/mol. Its IUPAC name is N,N-diphenylnitrous amide.

Molecular Properties

Compound NameN,N-diphenylnitrous amide
PubChem CID6838
Molecular FormulaC12H10N2O
Molecular Weight198.22 g/mol
Exact Mass198.08
IUPAC NameN,N-diphenylnitrous amide
SMILESO=NN(c1ccccc1)c1ccccc1
InChIInChI=1S/C12H10N2O/c15-13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
InChIKeyUBUCNCOMADRQHX-UHFFFAOYSA-N
XLogP3.51
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 53.51
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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Related Compounds

Diphenylamine
CID 11487
N-Phenyl-p-phenylenediamine
CID 7564
4-Nitrosodiphenylamine
CID 9074
N-Methyl-N-nitrosoaniline
CID 11957
N,N-Diphenylhydrazine
CID 10739
p-Aminodiphenylamine HCl
CID 75146
4,4'-Diaminodiphenylamine
CID 10841
4-Fluoro-N-methyl-N-nitrosobenzenamine
CID 13641
N-Nitroso-N-ethylaniline
CID 11929
Hydrazine, 1,1-diphenyl-, hydrochloride (1:1)
CID 10738
Triphenylamine
CID 11775
Methyldiphenylamine
CID 11098

Frequently Asked Questions

What is the IUPAC name of N,N-diphenylnitrous amide?
The IUPAC name of N,N-diphenylnitrous amide (CID 6838) is N,N-diphenylnitrous amide.
What is the SMILES notation for N,N-diphenylnitrous amide?
The canonical SMILES for N,N-diphenylnitrous amide is O=NN(c1ccccc1)c1ccccc1.
What is the InChIKey of N,N-diphenylnitrous amide?
The InChIKey is UBUCNCOMADRQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O/c15-13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H.
What are the key properties of N,N-diphenylnitrous amide?
N,N-diphenylnitrous amide has a molecular weight of 198.22 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenylnitrous amide is sourced from PubChem (CID 6838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).