1-[(Z)-1-(4-fluorophenyl)ethylideneamino]-3-phenylurea

C15H14FN3O — CID 9241529

IUPAC1-[(Z)-1-(4-fluorophenyl)ethylideneamino]-3-phenylurea
SMILESC/C(=N/NC(=O)Nc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C15H14FN3O/c1-11(12-7-9-13(16)10-8-12)18-19-15(20)17-14-5-3-2-4-6-14/h2-10H,1H3,(H2,17,19,20)/b18-11-
InChIKeyRKIACRYPBASWRD-WQRHYEAKSA-N
MW271.30 g/mol
LogP3.37
Rot. Bonds3

About 1-[(Z)-1-(4-fluorophenyl)ethylideneamino]-3-phenylurea

1-[(Z)-1-(4-fluorophenyl)ethylideneamino]-3-phenylurea (PubChem CID 9241529) has the molecular formula C15H14FN3O and a molecular weight of 271.30 g/mol. Its IUPAC name is 1-[(Z)-1-(4-fluorophenyl)ethylideneamino]-3-phenylurea.

Molecular Properties

Compound Name1-[(Z)-1-(4-fluorophenyl)ethylideneamino]-3-phenylurea
PubChem CID9241529
Molecular FormulaC15H14FN3O
Molecular Weight271.30 g/mol
Exact Mass271.11
IUPAC Name1-[(Z)-1-(4-fluorophenyl)ethylideneamino]-3-phenylurea
SMILESC/C(=N/NC(=O)Nc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C15H14FN3O/c1-11(12-7-9-13(16)10-8-12)18-19-15(20)17-14-5-3-2-4-6-14/h2-10H,1H3,(H2,17,19,20)/b18-11-
InChIKeyRKIACRYPBASWRD-WQRHYEAKSA-N
XLogP3.37
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 53.37
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-phenyl-3-[(E)-1-(4-phenylphenyl)ethylideneamino]urea
CID 5375904
1-[(Z)-1-[4-(dimethylsulfamoyl)phenyl]ethylideneamino]-3-phenylurea
CID 9242121
(2S)-2-anilino-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]propanamide
CID 51414732
N-[(Z)-1-(4-fluorophenyl)ethylideneamino]acetamide
CID 6022107
1-[1-[4-[(4-methoxyphenyl)carbamothioylamino]phenyl]ethylideneamino]-3-phenylurea
CID 3710651
N-[1-(4-fluorophenyl)ethylideneamino]-2,2-diphenylacetamide
CID 827608
(2R)-N-[(E)-1-(4-fluorophenyl)ethylideneamino]-2-hydroxy-2-phenylacetamide
CID 6940689
1-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3-phenylurea
CID 24707277
N-[(Z)-1-[4-[(4-fluorobenzoyl)amino]phenyl]ethylideneamino]pyridine-4-carboxamide
CID 39818795
N-[(E)-1-[4-[(4-fluorobenzoyl)amino]phenyl]ethylideneamino]pyridine-4-carboxamide
CID 25237502
N-[(Z)-1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]benzamide
CID 5412073

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-1-(4-fluorophenyl)ethylideneamino]-3-phenylurea?
The IUPAC name of 1-[(Z)-1-(4-fluorophenyl)ethylideneamino]-3-phenylurea (CID 9241529) is 1-[(Z)-1-(4-fluorophenyl)ethylideneamino]-3-phenylurea.
What is the SMILES notation for 1-[(Z)-1-(4-fluorophenyl)ethylideneamino]-3-phenylurea?
The canonical SMILES for 1-[(Z)-1-(4-fluorophenyl)ethylideneamino]-3-phenylurea is C/C(=N/NC(=O)Nc1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 1-[(Z)-1-(4-fluorophenyl)ethylideneamino]-3-phenylurea?
The InChIKey is RKIACRYPBASWRD-WQRHYEAKSA-N. The full InChI is InChI=1S/C15H14FN3O/c1-11(12-7-9-13(16)10-8-12)18-19-15(20)17-14-5-3-2-4-6-14/h2-10H,1H3,(H2,17,19,20)/b18-11-.
What are the key properties of 1-[(Z)-1-(4-fluorophenyl)ethylideneamino]-3-phenylurea?
1-[(Z)-1-(4-fluorophenyl)ethylideneamino]-3-phenylurea has a molecular weight of 271.30 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-1-(4-fluorophenyl)ethylideneamino]-3-phenylurea is sourced from PubChem (CID 9241529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).