(1Z)-1-[(4-fluorophenyl)-phenylmethylidene]-3-methylurea

C15H13FN2O — CID 117062950

IUPAC(1Z)-1-[(4-fluorophenyl)-phenylmethylidene]-3-methylurea
SMILESCNC(=O)/N=C(/c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C15H13FN2O/c1-17-15(19)18-14(11-5-3-2-4-6-11)12-7-9-13(16)10-8-12/h2-10H,1H3,(H,17,19)/b18-14-
InChIKeyJREPYQPWLMHMCA-JXAWBTAJSA-N
MW256.28 g/mol
LogP3.00
Rot. Bonds2

About (1Z)-1-[(4-fluorophenyl)-phenylmethylidene]-3-methylurea

(1Z)-1-[(4-fluorophenyl)-phenylmethylidene]-3-methylurea (PubChem CID 117062950) has the molecular formula C15H13FN2O and a molecular weight of 256.28 g/mol. Its IUPAC name is (1Z)-1-[(4-fluorophenyl)-phenylmethylidene]-3-methylurea.

Molecular Properties

Compound Name(1Z)-1-[(4-fluorophenyl)-phenylmethylidene]-3-methylurea
PubChem CID117062950
Molecular FormulaC15H13FN2O
Molecular Weight256.28 g/mol
Exact Mass256.10
IUPAC Name(1Z)-1-[(4-fluorophenyl)-phenylmethylidene]-3-methylurea
SMILESCNC(=O)/N=C(/c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C15H13FN2O/c1-17-15(19)18-14(11-5-3-2-4-6-11)12-7-9-13(16)10-8-12/h2-10H,1H3,(H,17,19)/b18-14-
InChIKeyJREPYQPWLMHMCA-JXAWBTAJSA-N
XLogP3.00
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4-fluorophenyl)-phenylmethanone
CID 161464622
N-methylbenzamide
CID 11954
1-[(Z)-1-(4-fluorophenyl)ethylideneamino]-3-phenylurea
CID 9241529
2,2-dimethyl-1-phenylpropan-1-one;1-(4-fluorophenyl)-2,2-dimethylpropan-1-one
CID 158594816
1-fluoro-4-[2-(4-fluorophenyl)-1,2-diphenylethenyl]benzene
CID 71376552
4-fluoro-N-[(2-nitroso-1-phenylethylidene)amino]benzamide
CID 91509207
2-[(Z)-[(4-fluorophenyl)-phenylmethylidene]amino]guanidine
CID 5474390
4-benzoyl-N-(4-fluorophenyl)benzamide
CID 2315903
2,5-difluoro-N-[(Z)-1-phenylethylideneamino]benzamide
CID 86621112
lithium;hydride;N-methylbenzamide
CID 173287348
1-(benzhydrylideneamino)ethylidenechromium
CID 11463699
N-methylbenzamide;molecular hydrogen
CID 142972595

Frequently Asked Questions

What is the IUPAC name of (1Z)-1-[(4-fluorophenyl)-phenylmethylidene]-3-methylurea?
The IUPAC name of (1Z)-1-[(4-fluorophenyl)-phenylmethylidene]-3-methylurea (CID 117062950) is (1Z)-1-[(4-fluorophenyl)-phenylmethylidene]-3-methylurea.
What is the SMILES notation for (1Z)-1-[(4-fluorophenyl)-phenylmethylidene]-3-methylurea?
The canonical SMILES for (1Z)-1-[(4-fluorophenyl)-phenylmethylidene]-3-methylurea is CNC(=O)/N=C(/c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of (1Z)-1-[(4-fluorophenyl)-phenylmethylidene]-3-methylurea?
The InChIKey is JREPYQPWLMHMCA-JXAWBTAJSA-N. The full InChI is InChI=1S/C15H13FN2O/c1-17-15(19)18-14(11-5-3-2-4-6-11)12-7-9-13(16)10-8-12/h2-10H,1H3,(H,17,19)/b18-14-.
What are the key properties of (1Z)-1-[(4-fluorophenyl)-phenylmethylidene]-3-methylurea?
(1Z)-1-[(4-fluorophenyl)-phenylmethylidene]-3-methylurea has a molecular weight of 256.28 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-[(4-fluorophenyl)-phenylmethylidene]-3-methylurea is sourced from PubChem (CID 117062950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).