1-(2-cyano-4-fluorophenyl)-3-(2,4-difluorophenyl)urea

C14H8F3N3O — CID 115279853

IUPAC1-(2-cyano-4-fluorophenyl)-3-(2,4-difluorophenyl)urea
SMILESN#Cc1cc(F)ccc1NC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C14H8F3N3O/c15-9-1-3-12(8(5-9)7-18)19-14(21)20-13-4-2-10(16)6-11(13)17/h1-6H,(H2,19,20,21)
InChIKeyRNBGBUTZFBPBDY-UHFFFAOYSA-N
MW291.23 g/mol
LogP3.62
Rot. Bonds2

About 1-(2-cyano-4-fluorophenyl)-3-(2,4-difluorophenyl)urea

1-(2-cyano-4-fluorophenyl)-3-(2,4-difluorophenyl)urea (PubChem CID 115279853) has the molecular formula C14H8F3N3O and a molecular weight of 291.23 g/mol. Its IUPAC name is 1-(2-cyano-4-fluorophenyl)-3-(2,4-difluorophenyl)urea.

Molecular Properties

Compound Name1-(2-cyano-4-fluorophenyl)-3-(2,4-difluorophenyl)urea
PubChem CID115279853
Molecular FormulaC14H8F3N3O
Molecular Weight291.23 g/mol
Exact Mass291.06
IUPAC Name1-(2-cyano-4-fluorophenyl)-3-(2,4-difluorophenyl)urea
SMILESN#Cc1cc(F)ccc1NC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C14H8F3N3O/c15-9-1-3-12(8(5-9)7-18)19-14(21)20-13-4-2-10(16)6-11(13)17/h1-6H,(H2,19,20,21)
InChIKeyRNBGBUTZFBPBDY-UHFFFAOYSA-N
XLogP3.62
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.23
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-cyano-4-fluorophenyl)-3-(2,2,2-trifluoroethyl)urea
CID 115577068
1-(2-cyano-4-fluorophenyl)-3-(3-methylbutan-2-yl)urea
CID 78839868
4-chloro-N-(2-cyano-4-fluorophenyl)benzamide
CID 79946601
N-(2-cyano-4-fluorophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 103309883
N-(2-cyano-4-fluorophenyl)propanamide
CID 79952819
1-N-(2-cyanophenyl)-3-N-(2,4-difluorophenyl)benzene-1,3-dicarboxamide
CID 109057784
1-(2-cyano-4-fluorophenyl)-3-(3,3,3-trifluoropropyl)urea
CID 78894621
N-(2-cyano-4-fluorophenyl)-4-iodobenzamide
CID 79952957
1-(2,4-difluorophenyl)-3-(3,5-difluorophenyl)urea
CID 46859669
1-(2,4-difluorophenyl)-3-(2,3,4-trifluorophenyl)urea
CID 108892630
1-(2,4-difluorophenyl)-3-(4-fluoro-2-methylphenyl)urea
CID 17263659
2-[(2-cyano-4-fluorophenyl)carbamoylamino]-N-ethylacetamide
CID 78839111

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyano-4-fluorophenyl)-3-(2,4-difluorophenyl)urea?
The IUPAC name of 1-(2-cyano-4-fluorophenyl)-3-(2,4-difluorophenyl)urea (CID 115279853) is 1-(2-cyano-4-fluorophenyl)-3-(2,4-difluorophenyl)urea.
What is the SMILES notation for 1-(2-cyano-4-fluorophenyl)-3-(2,4-difluorophenyl)urea?
The canonical SMILES for 1-(2-cyano-4-fluorophenyl)-3-(2,4-difluorophenyl)urea is N#Cc1cc(F)ccc1NC(=O)Nc1ccc(F)cc1F.
What is the InChIKey of 1-(2-cyano-4-fluorophenyl)-3-(2,4-difluorophenyl)urea?
The InChIKey is RNBGBUTZFBPBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3N3O/c15-9-1-3-12(8(5-9)7-18)19-14(21)20-13-4-2-10(16)6-11(13)17/h1-6H,(H2,19,20,21).
What are the key properties of 1-(2-cyano-4-fluorophenyl)-3-(2,4-difluorophenyl)urea?
1-(2-cyano-4-fluorophenyl)-3-(2,4-difluorophenyl)urea has a molecular weight of 291.23 g/mol, XLogP of 3.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyano-4-fluorophenyl)-3-(2,4-difluorophenyl)urea is sourced from PubChem (CID 115279853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).