nitrous acid;N-phenylacetamide

C8H10N2O3 — CID 174797407

IUPACnitrous acid;N-phenylacetamide
SMILESCC(=O)Nc1ccccc1.O=NO
InChIInChI=1S/C8H9NO.HNO2/c1-7(10)9-8-5-3-2-4-6-8;2-1-3/h2-6H,1H3,(H,9,10);(H,2,3)
InChIKeyRHRRQOQENWBJTO-UHFFFAOYSA-N
MW182.18 g/mol
LogP1.79
Rot. Bonds1

About nitrous acid;N-phenylacetamide

nitrous acid;N-phenylacetamide (PubChem CID 174797407) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is nitrous acid;N-phenylacetamide.

Molecular Properties

Compound Namenitrous acid;N-phenylacetamide
PubChem CID174797407
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Namenitrous acid;N-phenylacetamide
SMILESCC(=O)Nc1ccccc1.O=NO
InChIInChI=1S/C8H9NO.HNO2/c1-7(10)9-8-5-3-2-4-6-8;2-1-3/h2-6H,1H3,(H,9,10);(H,2,3)
InChIKeyRHRRQOQENWBJTO-UHFFFAOYSA-N
XLogP1.79
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

cobalt;N-phenylacetamide
CID 158689050
acetyl bromide;N-phenylacetamide
CID 175285562
N-phenylacetamide;toluene
CID 175205531
deuteriomethane;ethane;N-phenylacetamide
CID 91156750
acetohydrazide;N-phenylacetamide;hydrate
CID 174786539
N-(4-hydroxyphenyl)acetamide;N-phenylacetamide
CID 174809741
N-methylethanamine;N-phenylacetamide
CID 156841550
phenoxybenzene;N-phenylacetamide
CID 174350344
N-(4-phenylphenyl)acetamide
CID 19998
N'-(3-acetamidophenyl)-N-phenyloxamide
CID 45001278
N-phenylacetamide;trifluoromethanesulfonamide
CID 174361044
N-(N'-methyl-N-phenylcarbamimidoyl)acetamide
CID 57075096

Frequently Asked Questions

What is the IUPAC name of nitrous acid;N-phenylacetamide?
The IUPAC name of nitrous acid;N-phenylacetamide (CID 174797407) is nitrous acid;N-phenylacetamide.
What is the SMILES notation for nitrous acid;N-phenylacetamide?
The canonical SMILES for nitrous acid;N-phenylacetamide is CC(=O)Nc1ccccc1.O=NO.
What is the InChIKey of nitrous acid;N-phenylacetamide?
The InChIKey is RHRRQOQENWBJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO.HNO2/c1-7(10)9-8-5-3-2-4-6-8;2-1-3/h2-6H,1H3,(H,9,10);(H,2,3).
What are the key properties of nitrous acid;N-phenylacetamide?
nitrous acid;N-phenylacetamide has a molecular weight of 182.18 g/mol, XLogP of 1.79, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for nitrous acid;N-phenylacetamide is sourced from PubChem (CID 174797407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).