1-(4-aminophenyl)-2-hydrazinylidene-2-phenylethanone

C14H13N3O — CID 173282909

IUPAC1-(4-aminophenyl)-2-hydrazinylidene-2-phenylethanone
SMILESNN=C(C(=O)c1ccc(N)cc1)c1ccccc1
InChIInChI=1S/C14H13N3O/c15-12-8-6-11(7-9-12)14(18)13(17-16)10-4-2-1-3-5-10/h1-9H,15-16H2
InChIKeyQAJJMWOVRVCVHR-UHFFFAOYSA-N
MW239.28 g/mol
LogP1.81
Rot. Bonds3

About 1-(4-aminophenyl)-2-hydrazinylidene-2-phenylethanone

1-(4-aminophenyl)-2-hydrazinylidene-2-phenylethanone (PubChem CID 173282909) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 1-(4-aminophenyl)-2-hydrazinylidene-2-phenylethanone.

Molecular Properties

Compound Name1-(4-aminophenyl)-2-hydrazinylidene-2-phenylethanone
PubChem CID173282909
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name1-(4-aminophenyl)-2-hydrazinylidene-2-phenylethanone
SMILESNN=C(C(=O)c1ccc(N)cc1)c1ccccc1
InChIInChI=1S/C14H13N3O/c15-12-8-6-11(7-9-12)14(18)13(17-16)10-4-2-1-3-5-10/h1-9H,15-16H2
InChIKeyQAJJMWOVRVCVHR-UHFFFAOYSA-N
XLogP1.81
TPSA81.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorophenyl)-2-hydrazinylidene-1-phenylethanone
CID 154386910
(2Z)-2-hydrazinylidene-2-(4-nitrophenyl)-1-phenylethanone
CID 27138490
(4-aminophenyl)-phenylmethanone
CID 14346
[4-[2-(4-methoxyphenyl)-2-oxoethanehydrazonoyl]phenyl] benzoate
CID 22300297
1,2-diphenylethane-1,2-dione bromide
CID 86754555
(2E)-2-hydrazinylidene-1,2-bis[4-(trifluoromethyl)phenyl]ethanone
CID 11696179
bis(1,2-diphenylethane-1,2-dione);hydrogen peroxide
CID 18415505
(1E)-2-oxo-2-phenylethanehydrazonoyl chloride
CID 45080811
4-[(Z)-N-[(Z)-[(4-aminophenyl)-phenylmethylidene]amino]-C-phenylcarbonimidoyl]aniline
CID 6871279
1,2-diphenylethane-1,2-dione;iron
CID 70488368
1,2-diphenylethane-1,2-dione;sulfane
CID 159672950
bis(1,2-diphenylethane-1,2-dione);dihydrochloride
CID 67930699

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-2-hydrazinylidene-2-phenylethanone?
The IUPAC name of 1-(4-aminophenyl)-2-hydrazinylidene-2-phenylethanone (CID 173282909) is 1-(4-aminophenyl)-2-hydrazinylidene-2-phenylethanone.
What is the SMILES notation for 1-(4-aminophenyl)-2-hydrazinylidene-2-phenylethanone?
The canonical SMILES for 1-(4-aminophenyl)-2-hydrazinylidene-2-phenylethanone is NN=C(C(=O)c1ccc(N)cc1)c1ccccc1.
What is the InChIKey of 1-(4-aminophenyl)-2-hydrazinylidene-2-phenylethanone?
The InChIKey is QAJJMWOVRVCVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c15-12-8-6-11(7-9-12)14(18)13(17-16)10-4-2-1-3-5-10/h1-9H,15-16H2.
What are the key properties of 1-(4-aminophenyl)-2-hydrazinylidene-2-phenylethanone?
1-(4-aminophenyl)-2-hydrazinylidene-2-phenylethanone has a molecular weight of 239.28 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-2-hydrazinylidene-2-phenylethanone is sourced from PubChem (CID 173282909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).