1-[4-[2-(dicyanomethylidene)hydrazinyl]-3-fluorophenyl]-3-(4-fluorophenyl)urea

C16H10F2N6O — CID 169341243

IUPAC1-[4-[2-(dicyanomethylidene)hydrazinyl]-3-fluorophenyl]-3-(4-fluorophenyl)urea
SMILESN#CC(C#N)=NNc1ccc(NC(=O)Nc2ccc(F)cc2)cc1F
InChIInChI=1S/C16H10F2N6O/c17-10-1-3-11(4-2-10)21-16(25)22-12-5-6-15(14(18)7-12)24-23-13(8-19)9-20/h1-7,24H,(H2,21,22,25)
InChIKeyTZZUUBRCIHEHMO-UHFFFAOYSA-N
MW340.29 g/mol
LogP3.42
Rot. Bonds4

About 1-[4-[2-(dicyanomethylidene)hydrazinyl]-3-fluorophenyl]-3-(4-fluorophenyl)urea

1-[4-[2-(dicyanomethylidene)hydrazinyl]-3-fluorophenyl]-3-(4-fluorophenyl)urea (PubChem CID 169341243) has the molecular formula C16H10F2N6O and a molecular weight of 340.29 g/mol. Its IUPAC name is 1-[4-[2-(dicyanomethylidene)hydrazinyl]-3-fluorophenyl]-3-(4-fluorophenyl)urea.

Molecular Properties

Compound Name1-[4-[2-(dicyanomethylidene)hydrazinyl]-3-fluorophenyl]-3-(4-fluorophenyl)urea
PubChem CID169341243
Molecular FormulaC16H10F2N6O
Molecular Weight340.29 g/mol
Exact Mass340.09
IUPAC Name1-[4-[2-(dicyanomethylidene)hydrazinyl]-3-fluorophenyl]-3-(4-fluorophenyl)urea
SMILESN#CC(C#N)=NNc1ccc(NC(=O)Nc2ccc(F)cc2)cc1F
InChIInChI=1S/C16H10F2N6O/c17-10-1-3-11(4-2-10)21-16(25)22-12-5-6-15(14(18)7-12)24-23-13(8-19)9-20/h1-7,24H,(H2,21,22,25)
InChIKeyTZZUUBRCIHEHMO-UHFFFAOYSA-N
XLogP3.42
TPSA113.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.29
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_imine_B(17)', '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

1-[4-(2,2-dicyanoethenylamino)-3-fluorophenyl]-3-(4-fluorophenyl)urea
CID 168544827
2-[(4-fluorophenyl)hydrazinylidene]propanedinitrile
CID 832904
2-[(2,5-difluorophenyl)hydrazinylidene]propanedinitrile
CID 169341882
2-[(4-ethynyl-2-fluorophenyl)hydrazinylidene]propanedinitrile
CID 169340845
1-(2-amino-4-fluorophenyl)-3-(4-fluorophenyl)urea
CID 16777898
N-[4-[2-(dicyanomethylidene)hydrazinyl]-2-fluorophenyl]-5-methylpyrazine-2-carboxamide
CID 166903288
2-[(3-fluoro-4-methylphenyl)hydrazinylidene]propanedinitrile
CID 169337336
1-(4-bromo-2,5-difluorophenyl)-3-(4-fluorophenyl)urea
CID 107612564
(Z)-2-cyano-3-(2,4-difluoroanilino)-N-(4-fluorophenyl)prop-2-enamide
CID 108852059
1-(3,4-dimethylphenyl)-3-(4-fluorophenyl)urea
CID 27870039
2-[(2-cyano-3,4-difluorophenyl)hydrazinylidene]propanedinitrile
CID 169340874
1-(2,4-difluorophenyl)-3-(3,5-difluorophenyl)urea
CID 46859669

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(dicyanomethylidene)hydrazinyl]-3-fluorophenyl]-3-(4-fluorophenyl)urea?
The IUPAC name of 1-[4-[2-(dicyanomethylidene)hydrazinyl]-3-fluorophenyl]-3-(4-fluorophenyl)urea (CID 169341243) is 1-[4-[2-(dicyanomethylidene)hydrazinyl]-3-fluorophenyl]-3-(4-fluorophenyl)urea.
What is the SMILES notation for 1-[4-[2-(dicyanomethylidene)hydrazinyl]-3-fluorophenyl]-3-(4-fluorophenyl)urea?
The canonical SMILES for 1-[4-[2-(dicyanomethylidene)hydrazinyl]-3-fluorophenyl]-3-(4-fluorophenyl)urea is N#CC(C#N)=NNc1ccc(NC(=O)Nc2ccc(F)cc2)cc1F.
What is the InChIKey of 1-[4-[2-(dicyanomethylidene)hydrazinyl]-3-fluorophenyl]-3-(4-fluorophenyl)urea?
The InChIKey is TZZUUBRCIHEHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F2N6O/c17-10-1-3-11(4-2-10)21-16(25)22-12-5-6-15(14(18)7-12)24-23-13(8-19)9-20/h1-7,24H,(H2,21,22,25).
What are the key properties of 1-[4-[2-(dicyanomethylidene)hydrazinyl]-3-fluorophenyl]-3-(4-fluorophenyl)urea?
1-[4-[2-(dicyanomethylidene)hydrazinyl]-3-fluorophenyl]-3-(4-fluorophenyl)urea has a molecular weight of 340.29 g/mol, XLogP of 3.42, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(dicyanomethylidene)hydrazinyl]-3-fluorophenyl]-3-(4-fluorophenyl)urea is sourced from PubChem (CID 169341243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).