N-(2-cyanoanilino)-2-oxo-N'-phenylpropanimidamide

C16H14N4O — CID 11065773

IUPACN-(2-cyanoanilino)-2-oxo-N'-phenylpropanimidamide
SMILESCC(=O)/C(=N\c1ccccc1)NNc1ccccc1C#N
InChIInChI=1S/C16H14N4O/c1-12(21)16(18-14-8-3-2-4-9-14)20-19-15-10-6-5-7-13(15)11-17/h2-10,19H,1H3,(H,18,20)
InChIKeyJEQXCIXGMLJKOA-UHFFFAOYSA-N
MW278.32 g/mol
LogP2.79
Rot. Bonds4

About N-(2-cyanoanilino)-2-oxo-N'-phenylpropanimidamide

N-(2-cyanoanilino)-2-oxo-N'-phenylpropanimidamide (PubChem CID 11065773) has the molecular formula C16H14N4O and a molecular weight of 278.32 g/mol. Its IUPAC name is N-(2-cyanoanilino)-2-oxo-N'-phenylpropanimidamide.

Molecular Properties

Compound NameN-(2-cyanoanilino)-2-oxo-N'-phenylpropanimidamide
PubChem CID11065773
Molecular FormulaC16H14N4O
Molecular Weight278.32 g/mol
Exact Mass278.12
IUPAC NameN-(2-cyanoanilino)-2-oxo-N'-phenylpropanimidamide
SMILESCC(=O)/C(=N\c1ccccc1)NNc1ccccc1C#N
InChIInChI=1S/C16H14N4O/c1-12(21)16(18-14-8-3-2-4-9-14)20-19-15-10-6-5-7-13(15)11-17/h2-10,19H,1H3,(H,18,20)
InChIKeyJEQXCIXGMLJKOA-UHFFFAOYSA-N
XLogP2.79
TPSA77.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(3-fluorophenyl)-N-(2-methylanilino)-2-oxopropanimidamide
CID 11778680
acetic acid;benzene-1,2-dicarbonitrile;molecular nitrogen
CID 174519097
(2-cyanoanilino) acetate
CID 87886344
N-(2-chloroanilino)-N'-(3-methoxyphenyl)-2-oxopropanimidamide
CID 11034476
(2-cyanophenyl)urea
CID 13155570
2-[(2-cyanophenyl)carbamoylamino]benzoic acid
CID 61189461
N,N'-bis(2-cyanophenyl)-2,2-dimethylpropanediamide
CID 108970151
2-(4-acetamidoanilino)-N-(2-cyanophenyl)acetamide
CID 109010015
2-(2-cyanoanilino)cyclobutane-1-carboxylic acid
CID 103234319
3-(2-cyanophenyl)-1,1-diphenylurea
CID 3830875
N-(2-cyanophenyl)-3-phenylprop-2-ynamide
CID 6465612
N-(2-cyanophenyl)-2-(methylamino)acetamide
CID 24697085

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoanilino)-2-oxo-N'-phenylpropanimidamide?
The IUPAC name of N-(2-cyanoanilino)-2-oxo-N'-phenylpropanimidamide (CID 11065773) is N-(2-cyanoanilino)-2-oxo-N'-phenylpropanimidamide.
What is the SMILES notation for N-(2-cyanoanilino)-2-oxo-N'-phenylpropanimidamide?
The canonical SMILES for N-(2-cyanoanilino)-2-oxo-N'-phenylpropanimidamide is CC(=O)/C(=N\c1ccccc1)NNc1ccccc1C#N.
What is the InChIKey of N-(2-cyanoanilino)-2-oxo-N'-phenylpropanimidamide?
The InChIKey is JEQXCIXGMLJKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O/c1-12(21)16(18-14-8-3-2-4-9-14)20-19-15-10-6-5-7-13(15)11-17/h2-10,19H,1H3,(H,18,20).
What are the key properties of N-(2-cyanoanilino)-2-oxo-N'-phenylpropanimidamide?
N-(2-cyanoanilino)-2-oxo-N'-phenylpropanimidamide has a molecular weight of 278.32 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoanilino)-2-oxo-N'-phenylpropanimidamide is sourced from PubChem (CID 11065773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).