1-phenyl-3-[(E)-1-(4-phenylphenyl)ethylideneamino]urea

C21H19N3O — CID 5375904

IUPAC1-phenyl-3-[(E)-1-(4-phenylphenyl)ethylideneamino]urea
SMILESC/C(=N\NC(=O)Nc1ccccc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H19N3O/c1-16(23-24-21(25)22-20-10-6-3-7-11-20)17-12-14-19(15-13-17)18-8-4-2-5-9-18/h2-15H,1H3,(H2,22,24,25)/b23-16+
InChIKeyHWSOEDHKAOTZIC-XQNSMLJCSA-N
MW329.40 g/mol
LogP4.90
Rot. Bonds4

About 1-phenyl-3-[(E)-1-(4-phenylphenyl)ethylideneamino]urea

1-phenyl-3-[(E)-1-(4-phenylphenyl)ethylideneamino]urea (PubChem CID 5375904) has the molecular formula C21H19N3O and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-phenyl-3-[(E)-1-(4-phenylphenyl)ethylideneamino]urea.

Molecular Properties

Compound Name1-phenyl-3-[(E)-1-(4-phenylphenyl)ethylideneamino]urea
PubChem CID5375904
Molecular FormulaC21H19N3O
Molecular Weight329.40 g/mol
Exact Mass329.15
IUPAC Name1-phenyl-3-[(E)-1-(4-phenylphenyl)ethylideneamino]urea
SMILESC/C(=N\NC(=O)Nc1ccccc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H19N3O/c1-16(23-24-21(25)22-20-10-6-3-7-11-20)17-12-14-19(15-13-17)18-8-4-2-5-9-18/h2-15H,1H3,(H2,22,24,25)/b23-16+
InChIKeyHWSOEDHKAOTZIC-XQNSMLJCSA-N
XLogP4.90
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.90
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-[(Z)-1-phenylethylideneamino]urea
CID 5407235
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
N-[1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]-4-phenylbenzamide
CID 4099820
4-tert-butyl-N-[4-[[1-(4-phenylphenyl)ethylideneamino]carbamoyl]phenyl]benzamide
CID 3370740
1-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3-phenylurea
CID 24707277
2,2,2-trifluoro-N-[1-(4-phenylphenyl)ethylideneamino]acetamide
CID 1136936
1-(butan-2-ylideneamino)-3-phenylurea
CID 904424
1-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-3-phenylurea
CID 135643114
[(Z)-1-(4-phenylphenyl)ethylideneamino]thiourea
CID 5392292
1-phenyl-3-[(4-phenylbenzoyl)amino]urea
CID 819364

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[(E)-1-(4-phenylphenyl)ethylideneamino]urea?
The IUPAC name of 1-phenyl-3-[(E)-1-(4-phenylphenyl)ethylideneamino]urea (CID 5375904) is 1-phenyl-3-[(E)-1-(4-phenylphenyl)ethylideneamino]urea.
What is the SMILES notation for 1-phenyl-3-[(E)-1-(4-phenylphenyl)ethylideneamino]urea?
The canonical SMILES for 1-phenyl-3-[(E)-1-(4-phenylphenyl)ethylideneamino]urea is C/C(=N\NC(=O)Nc1ccccc1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-phenyl-3-[(E)-1-(4-phenylphenyl)ethylideneamino]urea?
The InChIKey is HWSOEDHKAOTZIC-XQNSMLJCSA-N. The full InChI is InChI=1S/C21H19N3O/c1-16(23-24-21(25)22-20-10-6-3-7-11-20)17-12-14-19(15-13-17)18-8-4-2-5-9-18/h2-15H,1H3,(H2,22,24,25)/b23-16+.
What are the key properties of 1-phenyl-3-[(E)-1-(4-phenylphenyl)ethylideneamino]urea?
1-phenyl-3-[(E)-1-(4-phenylphenyl)ethylideneamino]urea has a molecular weight of 329.40 g/mol, XLogP of 4.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[(E)-1-(4-phenylphenyl)ethylideneamino]urea is sourced from PubChem (CID 5375904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).