1-(2,3-difluorophenyl)-3-[1-(4-methylphenyl)ethyl]urea

C16H16F2N2O — CID 86856228

IUPAC1-(2,3-difluorophenyl)-3-[1-(4-methylphenyl)ethyl]urea
SMILESCc1ccc(C(C)NC(=O)Nc2cccc(F)c2F)cc1
InChIInChI=1S/C16H16F2N2O/c1-10-6-8-12(9-7-10)11(2)19-16(21)20-14-5-3-4-13(17)15(14)18/h3-9,11H,1-2H3,(H2,19,20,21)
InChIKeyPVPFTGPCCIGVLX-UHFFFAOYSA-N
MW290.31 g/mol
LogP4.16
Rot. Bonds3

About 1-(2,3-difluorophenyl)-3-[1-(4-methylphenyl)ethyl]urea

1-(2,3-difluorophenyl)-3-[1-(4-methylphenyl)ethyl]urea (PubChem CID 86856228) has the molecular formula C16H16F2N2O and a molecular weight of 290.31 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)-3-[1-(4-methylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)-3-[1-(4-methylphenyl)ethyl]urea
PubChem CID86856228
Molecular FormulaC16H16F2N2O
Molecular Weight290.31 g/mol
Exact Mass290.12
IUPAC Name1-(2,3-difluorophenyl)-3-[1-(4-methylphenyl)ethyl]urea
SMILESCc1ccc(C(C)NC(=O)Nc2cccc(F)c2F)cc1
InChIInChI=1S/C16H16F2N2O/c1-10-6-8-12(9-7-10)11(2)19-16(21)20-14-5-3-4-13(17)15(14)18/h3-9,11H,1-2H3,(H2,19,20,21)
InChIKeyPVPFTGPCCIGVLX-UHFFFAOYSA-N
XLogP4.16
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-fluorophenyl)-3-[(1S)-1-phenylethyl]urea
CID 6995379
1-(2,3-difluorophenyl)-3-[2-hydroxy-2-(4-methylphenyl)ethyl]urea
CID 110908500
1-[1-(4-aminophenyl)ethyl]-3-(2-fluorophenyl)urea
CID 43298075
N-(2,3-difluorophenyl)-N'-[(4-methylphenyl)-phenylmethyl]oxamide
CID 86856671
2-[(2,3-difluorophenyl)carbamoylamino]-3-methylbutanoic acid
CID 61207863
4-[1-[(2-fluorophenyl)carbamoylamino]ethyl]-N-hydroxybenzamide
CID 58417486
1-(3-fluoro-4-methylphenyl)-3-[1-(4-methylphenyl)ethyl]urea
CID 17087489
1-(2,3-difluorophenyl)-3-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]urea
CID 86856244
1-(2,3-difluorophenyl)-3-(1-hydroxybutan-2-yl)urea
CID 110908511
2-fluoro-N-[1-(4-methylphenyl)ethyl]benzamide
CID 46590164
1-[1-(4-fluorophenyl)ethyl]-3-(2-propan-2-ylphenyl)urea
CID 47032089
1-[1-(3-aminophenyl)ethyl]-3-(2-fluorophenyl)urea
CID 43298097

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)-3-[1-(4-methylphenyl)ethyl]urea?
The IUPAC name of 1-(2,3-difluorophenyl)-3-[1-(4-methylphenyl)ethyl]urea (CID 86856228) is 1-(2,3-difluorophenyl)-3-[1-(4-methylphenyl)ethyl]urea.
What is the SMILES notation for 1-(2,3-difluorophenyl)-3-[1-(4-methylphenyl)ethyl]urea?
The canonical SMILES for 1-(2,3-difluorophenyl)-3-[1-(4-methylphenyl)ethyl]urea is Cc1ccc(C(C)NC(=O)Nc2cccc(F)c2F)cc1.
What is the InChIKey of 1-(2,3-difluorophenyl)-3-[1-(4-methylphenyl)ethyl]urea?
The InChIKey is PVPFTGPCCIGVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O/c1-10-6-8-12(9-7-10)11(2)19-16(21)20-14-5-3-4-13(17)15(14)18/h3-9,11H,1-2H3,(H2,19,20,21).
What are the key properties of 1-(2,3-difluorophenyl)-3-[1-(4-methylphenyl)ethyl]urea?
1-(2,3-difluorophenyl)-3-[1-(4-methylphenyl)ethyl]urea has a molecular weight of 290.31 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-(2,3-difluorophenyl)-3-[1-(4-methylphenyl)ethyl]urea is sourced from PubChem (CID 86856228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).