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

C16H16F2N2O2 — CID 46494085

IUPAC1-(2,4-difluorophenyl)-3-[2-hydroxy-2-(4-methylphenyl)ethyl]urea
SMILESCc1ccc(C(O)CNC(=O)Nc2ccc(F)cc2F)cc1
InChIInChI=1S/C16H16F2N2O2/c1-10-2-4-11(5-3-10)15(21)9-19-16(22)20-14-7-6-12(17)8-13(14)18/h2-8,15,21H,9H2,1H3,(H2,19,20,22)
InChIKeyFILWFLYKHGMVMV-UHFFFAOYSA-N
MW306.31 g/mol
LogP3.13
Rot. Bonds4

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

1-(2,4-difluorophenyl)-3-[2-hydroxy-2-(4-methylphenyl)ethyl]urea (PubChem CID 46494085) has the molecular formula C16H16F2N2O2 and a molecular weight of 306.31 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-[2-hydroxy-2-(4-methylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-[2-hydroxy-2-(4-methylphenyl)ethyl]urea
PubChem CID46494085
Molecular FormulaC16H16F2N2O2
Molecular Weight306.31 g/mol
Exact Mass306.12
IUPAC Name1-(2,4-difluorophenyl)-3-[2-hydroxy-2-(4-methylphenyl)ethyl]urea
SMILESCc1ccc(C(O)CNC(=O)Nc2ccc(F)cc2F)cc1
InChIInChI=1S/C16H16F2N2O2/c1-10-2-4-11(5-3-10)15(21)9-19-16(22)20-14-7-6-12(17)8-13(14)18/h2-8,15,21H,9H2,1H3,(H2,19,20,22)
InChIKeyFILWFLYKHGMVMV-UHFFFAOYSA-N
XLogP3.13
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.31
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-difluorophenyl)-3-[2-hydroxy-2-(4-methylphenyl)ethyl]urea
CID 110908500
1-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-3-(2,4-dimethylphenyl)urea
CID 51983472
1-(2,4-dichlorophenyl)-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea
CID 75876358
methyl 3-[(2,4-difluorophenyl)carbamoylamino]-2-hydroxypropanoate
CID 103878987
3-[(2,4-difluorophenyl)carbamoylamino]-2-hydroxypropanamide
CID 107258525
1-[4-(dimethylamino)-2-methylphenyl]-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea
CID 110891386
1-(2,5-dichlorophenyl)-3-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]urea
CID 52591003
1-(2-cyclopropyl-2-hydroxyethyl)-3-(2,4-difluorophenyl)urea
CID 63237113
1-(2,4-difluorophenyl)-3-(2-phenylbutyl)urea
CID 46647394
1-(3-amino-2-methyl-3-sulfanylidenepropyl)-3-(2,4-difluorophenyl)urea
CID 62668202
1-(3,4-dimethylphenyl)-3-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]urea
CID 51944062
1-(2,3-dimethylpentyl)-3-(2-fluoro-4-methylphenyl)urea
CID 144685819

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-[2-hydroxy-2-(4-methylphenyl)ethyl]urea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-[2-hydroxy-2-(4-methylphenyl)ethyl]urea (CID 46494085) is 1-(2,4-difluorophenyl)-3-[2-hydroxy-2-(4-methylphenyl)ethyl]urea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-[2-hydroxy-2-(4-methylphenyl)ethyl]urea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-[2-hydroxy-2-(4-methylphenyl)ethyl]urea is Cc1ccc(C(O)CNC(=O)Nc2ccc(F)cc2F)cc1.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-[2-hydroxy-2-(4-methylphenyl)ethyl]urea?
The InChIKey is FILWFLYKHGMVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O2/c1-10-2-4-11(5-3-10)15(21)9-19-16(22)20-14-7-6-12(17)8-13(14)18/h2-8,15,21H,9H2,1H3,(H2,19,20,22).
What are the key properties of 1-(2,4-difluorophenyl)-3-[2-hydroxy-2-(4-methylphenyl)ethyl]urea?
1-(2,4-difluorophenyl)-3-[2-hydroxy-2-(4-methylphenyl)ethyl]urea has a molecular weight of 306.31 g/mol, XLogP of 3.13, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-[2-hydroxy-2-(4-methylphenyl)ethyl]urea is sourced from PubChem (CID 46494085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).