1-(2,4-difluorophenyl)-3-(2-fluoro-4-propan-2-ylphenyl)urea

C16H15F3N2O — CID 146780735

IUPAC1-(2,4-difluorophenyl)-3-(2-fluoro-4-propan-2-ylphenyl)urea
SMILESCC(C)c1ccc(NC(=O)Nc2ccc(F)cc2F)c(F)c1
InChIInChI=1S/C16H15F3N2O/c1-9(2)10-3-5-14(12(18)7-10)20-16(22)21-15-6-4-11(17)8-13(15)19/h3-9H,1-2H3,(H2,20,21,22)
InChIKeyRTPSHSKKYKZABX-UHFFFAOYSA-N
MW308.30 g/mol
LogP4.87
Rot. Bonds3

About 1-(2,4-difluorophenyl)-3-(2-fluoro-4-propan-2-ylphenyl)urea

1-(2,4-difluorophenyl)-3-(2-fluoro-4-propan-2-ylphenyl)urea (PubChem CID 146780735) has the molecular formula C16H15F3N2O and a molecular weight of 308.30 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-(2-fluoro-4-propan-2-ylphenyl)urea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-(2-fluoro-4-propan-2-ylphenyl)urea
PubChem CID146780735
Molecular FormulaC16H15F3N2O
Molecular Weight308.30 g/mol
Exact Mass308.11
IUPAC Name1-(2,4-difluorophenyl)-3-(2-fluoro-4-propan-2-ylphenyl)urea
SMILESCC(C)c1ccc(NC(=O)Nc2ccc(F)cc2F)c(F)c1
InChIInChI=1S/C16H15F3N2O/c1-9(2)10-3-5-14(12(18)7-10)20-16(22)21-15-6-4-11(17)8-13(15)19/h3-9H,1-2H3,(H2,20,21,22)
InChIKeyRTPSHSKKYKZABX-UHFFFAOYSA-N
XLogP4.87
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 ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,4-difluorophenyl)-3-(4-fluoro-2-methylphenyl)urea
CID 17263659
1-(2,4-difluorophenyl)-3-(5-fluoro-2-methylphenyl)urea
CID 46859678
2-[(2,4-difluorophenyl)carbamoylamino]propanoic acid
CID 43288482
1-(2,4-difluorophenyl)-3-[(1R)-1-phenylethyl]urea
CID 51579251
1-(2,4-difluorophenyl)-3-(2,3,4-trifluorophenyl)urea
CID 108892630
1-(2,4-difluorophenyl)-3-(3,5-difluorophenyl)urea
CID 46859669
1-(2,4-difluorophenyl)-3-[2-(3-propan-2-ylphenoxy)-3-pyridinyl]urea
CID 68533157
1-(2,4-difluorophenyl)-3-(4-hydroxybutan-2-yl)urea
CID 78998254
1-(2,4-difluorophenyl)-3-pentan-3-ylurea
CID 6469007
2-cyano-N-(2,4-difluorophenyl)propanamide
CID 55208250
N-(2,4-difluorophenyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]propanamide
CID 43890502
N-(2,4-difluorophenyl)-2-methylpentanamide
CID 2904798

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-(2-fluoro-4-propan-2-ylphenyl)urea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-(2-fluoro-4-propan-2-ylphenyl)urea (CID 146780735) is 1-(2,4-difluorophenyl)-3-(2-fluoro-4-propan-2-ylphenyl)urea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-(2-fluoro-4-propan-2-ylphenyl)urea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-(2-fluoro-4-propan-2-ylphenyl)urea is CC(C)c1ccc(NC(=O)Nc2ccc(F)cc2F)c(F)c1.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-(2-fluoro-4-propan-2-ylphenyl)urea?
The InChIKey is RTPSHSKKYKZABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O/c1-9(2)10-3-5-14(12(18)7-10)20-16(22)21-15-6-4-11(17)8-13(15)19/h3-9H,1-2H3,(H2,20,21,22).
What are the key properties of 1-(2,4-difluorophenyl)-3-(2-fluoro-4-propan-2-ylphenyl)urea?
1-(2,4-difluorophenyl)-3-(2-fluoro-4-propan-2-ylphenyl)urea has a molecular weight of 308.30 g/mol, XLogP of 4.87, 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-fluoro-4-propan-2-ylphenyl)urea is sourced from PubChem (CID 146780735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).