1-(2,4-difluorophenyl)-3-[2-(4-fluorophenyl)propan-2-yl]urea

C16H15F3N2O — CID 113216228

IUPAC1-(2,4-difluorophenyl)-3-[2-(4-fluorophenyl)propan-2-yl]urea
SMILESCC(C)(NC(=O)Nc1ccc(F)cc1F)c1ccc(F)cc1
InChIInChI=1S/C16H15F3N2O/c1-16(2,10-3-5-11(17)6-4-10)21-15(22)20-14-8-7-12(18)9-13(14)19/h3-9H,1-2H3,(H2,20,21,22)
InChIKeyDDRQBHXQLABEGL-UHFFFAOYSA-N
MW308.30 g/mol
LogP4.16
Rot. Bonds3

About 1-(2,4-difluorophenyl)-3-[2-(4-fluorophenyl)propan-2-yl]urea

1-(2,4-difluorophenyl)-3-[2-(4-fluorophenyl)propan-2-yl]urea (PubChem CID 113216228) has the molecular formula C16H15F3N2O and a molecular weight of 308.30 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-[2-(4-fluorophenyl)propan-2-yl]urea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-[2-(4-fluorophenyl)propan-2-yl]urea
PubChem CID113216228
Molecular FormulaC16H15F3N2O
Molecular Weight308.30 g/mol
Exact Mass308.11
IUPAC Name1-(2,4-difluorophenyl)-3-[2-(4-fluorophenyl)propan-2-yl]urea
SMILESCC(C)(NC(=O)Nc1ccc(F)cc1F)c1ccc(F)cc1
InChIInChI=1S/C16H15F3N2O/c1-16(2,10-3-5-11(17)6-4-10)21-15(22)20-14-8-7-12(18)9-13(14)19/h3-9H,1-2H3,(H2,20,21,22)
InChIKeyDDRQBHXQLABEGL-UHFFFAOYSA-N
XLogP4.16
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-3-(2,4-difluorophenyl)urea
CID 61118848
1-(2,4-difluorophenyl)-3-[3-(hydroxymethyl)pentan-3-yl]urea
CID 62521942
1-(2,4-difluorophenyl)-3-(1-hydroxy-2-methylpentan-2-yl)urea
CID 111430082
1-[2-(4-fluorophenyl)propan-2-yl]-3-pyridin-4-ylurea
CID 110469738
N-tert-butyl-2-[(2,4-difluorophenyl)carbamoylamino]acetamide
CID 17424278
1-(2,4-difluorophenyl)-3-(4-fluoro-2-methylphenyl)urea
CID 17263659
1-(2,4-difluorophenyl)-3-(5-fluoro-2-methylphenyl)urea
CID 46859678
N-(2,4-difluorophenyl)-N'-(4-fluorophenyl)-2,2-dimethylpropanediamide
CID 108968827
1-[2-(4-fluorophenyl)propan-2-yl]-3-(3,4,5-trimethoxyphenyl)urea
CID 113216229
(2R)-N-(2,4-difluorophenyl)-2,3,3,3-tetrafluoropropanamide
CID 2316423
1-N,4-N-bis(2,4-difluorophenyl)benzene-1,4-dicarboxamide
CID 3596826
N-(2,4-difluorophenyl)-2-oxoacetamide
CID 115165918

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-[2-(4-fluorophenyl)propan-2-yl]urea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-[2-(4-fluorophenyl)propan-2-yl]urea (CID 113216228) is 1-(2,4-difluorophenyl)-3-[2-(4-fluorophenyl)propan-2-yl]urea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-[2-(4-fluorophenyl)propan-2-yl]urea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-[2-(4-fluorophenyl)propan-2-yl]urea is CC(C)(NC(=O)Nc1ccc(F)cc1F)c1ccc(F)cc1.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-[2-(4-fluorophenyl)propan-2-yl]urea?
The InChIKey is DDRQBHXQLABEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O/c1-16(2,10-3-5-11(17)6-4-10)21-15(22)20-14-8-7-12(18)9-13(14)19/h3-9H,1-2H3,(H2,20,21,22).
What are the key properties of 1-(2,4-difluorophenyl)-3-[2-(4-fluorophenyl)propan-2-yl]urea?
1-(2,4-difluorophenyl)-3-[2-(4-fluorophenyl)propan-2-yl]urea has a molecular weight of 308.30 g/mol, XLogP of 4.16, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-[2-(4-fluorophenyl)propan-2-yl]urea is sourced from PubChem (CID 113216228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).