1-phenyl-3-[(Z)-1-phenylethylideneamino]urea

C15H15N3O — CID 5407235

IUPAC1-phenyl-3-[(Z)-1-phenylethylideneamino]urea
SMILESC/C(=N/NC(=O)Nc1ccccc1)c1ccccc1
InChIInChI=1S/C15H15N3O/c1-12(13-8-4-2-5-9-13)17-18-15(19)16-14-10-6-3-7-11-14/h2-11H,1H3,(H2,16,18,19)/b17-12-
InChIKeyPOAIDNLCHHSYAX-ATVHPVEESA-N
MW253.31 g/mol
LogP3.23
Rot. Bonds3

About 1-phenyl-3-[(Z)-1-phenylethylideneamino]urea

1-phenyl-3-[(Z)-1-phenylethylideneamino]urea (PubChem CID 5407235) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 1-phenyl-3-[(Z)-1-phenylethylideneamino]urea.

Molecular Properties

Compound Name1-phenyl-3-[(Z)-1-phenylethylideneamino]urea
PubChem CID5407235
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name1-phenyl-3-[(Z)-1-phenylethylideneamino]urea
SMILESC/C(=N/NC(=O)Nc1ccccc1)c1ccccc1
InChIInChI=1S/C15H15N3O/c1-12(13-8-4-2-5-9-13)17-18-15(19)16-14-10-6-3-7-11-14/h2-11H,1H3,(H2,16,18,19)/b17-12-
InChIKeyPOAIDNLCHHSYAX-ATVHPVEESA-N
XLogP3.23
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-phenyl-3-[(E)-1-(4-phenylphenyl)ethylideneamino]urea
CID 5375904
1-[(Z)-1-(4-fluorophenyl)ethylideneamino]-3-phenylurea
CID 9241529
1-[(Z)-1-[4-(dimethylsulfamoyl)phenyl]ethylideneamino]-3-phenylurea
CID 9242121
1-[1-[4-[(4-methoxyphenyl)carbamothioylamino]phenyl]ethylideneamino]-3-phenylurea
CID 3710651
methyl (2Z,3E)-3-(phenylcarbamoylhydrazinylidene)-2-[(E)-1-phenylethylidenehydrazinylidene]butanoate
CID 134915238
1-(butan-2-ylideneamino)-3-phenylurea
CID 904424
1-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-3-phenylurea
CID 135643114
1-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3-phenylurea
CID 24707277
N-[4-(N-anilino-C-methylcarbonimidoyl)phenyl]benzamide
CID 3561745
1-[(E)-1-(5-bromo-2-hydroxyphenyl)ethylideneamino]-3-phenylurea
CID 135557700
1-[(E)-1-(2-amino-4-hydroxy-1,3-selenazol-5-yl)ethylideneamino]-3-phenylurea
CID 177448798
4-benzamido-N-[(Z)-1-(4-bromophenyl)ethylideneamino]benzamide
CID 6272222

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[(Z)-1-phenylethylideneamino]urea?
The IUPAC name of 1-phenyl-3-[(Z)-1-phenylethylideneamino]urea (CID 5407235) is 1-phenyl-3-[(Z)-1-phenylethylideneamino]urea.
What is the SMILES notation for 1-phenyl-3-[(Z)-1-phenylethylideneamino]urea?
The canonical SMILES for 1-phenyl-3-[(Z)-1-phenylethylideneamino]urea is C/C(=N/NC(=O)Nc1ccccc1)c1ccccc1.
What is the InChIKey of 1-phenyl-3-[(Z)-1-phenylethylideneamino]urea?
The InChIKey is POAIDNLCHHSYAX-ATVHPVEESA-N. The full InChI is InChI=1S/C15H15N3O/c1-12(13-8-4-2-5-9-13)17-18-15(19)16-14-10-6-3-7-11-14/h2-11H,1H3,(H2,16,18,19)/b17-12-.
What are the key properties of 1-phenyl-3-[(Z)-1-phenylethylideneamino]urea?
1-phenyl-3-[(Z)-1-phenylethylideneamino]urea has a molecular weight of 253.31 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[(Z)-1-phenylethylideneamino]urea is sourced from PubChem (CID 5407235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).