2-imino-2-phenylacetamide

C8H8N2O — CID 18431878

IUPAC2-imino-2-phenylacetamide
SMILES[H]/N=C(\C(N)=O)c1ccccc1
InChIInChI=1S/C8H8N2O/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,9H,(H2,10,11)/b9-7-
InChIKeyLXTUOCPQMFKFTL-CLFYSBASSA-N
MW148.16 g/mol
LogP0.54
Rot. Bonds2

About 2-imino-2-phenylacetamide

2-imino-2-phenylacetamide (PubChem CID 18431878) has the molecular formula C8H8N2O and a molecular weight of 148.16 g/mol. Its IUPAC name is 2-imino-2-phenylacetamide.

Molecular Properties

Compound Name2-imino-2-phenylacetamide
PubChem CID18431878
Molecular FormulaC8H8N2O
Molecular Weight148.16 g/mol
Exact Mass148.06
IUPAC Name2-imino-2-phenylacetamide
SMILES[H]/N=C(\C(N)=O)c1ccccc1
InChIInChI=1S/C8H8N2O/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,9H,(H2,10,11)/b9-7-
InChIKeyLXTUOCPQMFKFTL-CLFYSBASSA-N
XLogP0.54
TPSA66.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-imino-2-phenylacetamide?
The IUPAC name of 2-imino-2-phenylacetamide (CID 18431878) is 2-imino-2-phenylacetamide.
What is the SMILES notation for 2-imino-2-phenylacetamide?
The canonical SMILES for 2-imino-2-phenylacetamide is [H]/N=C(\C(N)=O)c1ccccc1.
What is the InChIKey of 2-imino-2-phenylacetamide?
The InChIKey is LXTUOCPQMFKFTL-CLFYSBASSA-N. The full InChI is InChI=1S/C8H8N2O/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,9H,(H2,10,11)/b9-7-.
What are the key properties of 2-imino-2-phenylacetamide?
2-imino-2-phenylacetamide has a molecular weight of 148.16 g/mol, XLogP of 0.54, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-2-phenylacetamide is sourced from PubChem (CID 18431878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).