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

C16H16F2N2O2 — CID 110908500

IUPAC1-(2,3-difluorophenyl)-3-[2-hydroxy-2-(4-methylphenyl)ethyl]urea
SMILESCc1ccc(C(O)CNC(=O)Nc2cccc(F)c2F)cc1
InChIInChI=1S/C16H16F2N2O2/c1-10-5-7-11(8-6-10)14(21)9-19-16(22)20-13-4-2-3-12(17)15(13)18/h2-8,14,21H,9H2,1H3,(H2,19,20,22)
InChIKeyAXEKGXSSVONSGL-UHFFFAOYSA-N
MW306.31 g/mol
LogP3.13
Rot. Bonds4

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

1-(2,3-difluorophenyl)-3-[2-hydroxy-2-(4-methylphenyl)ethyl]urea (PubChem CID 110908500) has the molecular formula C16H16F2N2O2 and a molecular weight of 306.31 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)-3-[2-hydroxy-2-(4-methylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)-3-[2-hydroxy-2-(4-methylphenyl)ethyl]urea
PubChem CID110908500
Molecular FormulaC16H16F2N2O2
Molecular Weight306.31 g/mol
Exact Mass306.12
IUPAC Name1-(2,3-difluorophenyl)-3-[2-hydroxy-2-(4-methylphenyl)ethyl]urea
SMILESCc1ccc(C(O)CNC(=O)Nc2cccc(F)c2F)cc1
InChIInChI=1S/C16H16F2N2O2/c1-10-5-7-11(8-6-10)14(21)9-19-16(22)20-13-4-2-3-12(17)15(13)18/h2-8,14,21H,9H2,1H3,(H2,19,20,22)
InChIKeyAXEKGXSSVONSGL-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-(2,4-difluorophenyl)-3-[2-hydroxy-2-(4-methylphenyl)ethyl]urea
CID 46494085
1-(2,3-difluorophenyl)-3-[1-(4-methylphenyl)ethyl]urea
CID 86856228
3-[(2,3-difluorophenyl)carbamoylamino]-2-hydroxypropanoic acid
CID 66167999
1-(2,6-difluorophenyl)-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea
CID 110890491
1-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-(2,5-dimethylphenyl)urea
CID 111452505
1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(2-methylsulfanylphenyl)urea
CID 110890570
1-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-3-(2,4-dimethylphenyl)urea
CID 51983472
1-(2,3-difluorophenyl)-3-[2-hydroxy-3-(2-methylpropoxy)propyl]urea
CID 111103722
1-(3-ethylphenyl)-3-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]urea
CID 51944765
1-(2-chlorophenyl)-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea
CID 110890317
1-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-3-(4-methylphenyl)urea
CID 51939745
2-(2,3-difluoroanilino)-1-(4-fluorophenyl)ethanol
CID 61076629

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)-3-[2-hydroxy-2-(4-methylphenyl)ethyl]urea?
The IUPAC name of 1-(2,3-difluorophenyl)-3-[2-hydroxy-2-(4-methylphenyl)ethyl]urea (CID 110908500) is 1-(2,3-difluorophenyl)-3-[2-hydroxy-2-(4-methylphenyl)ethyl]urea.
What is the SMILES notation for 1-(2,3-difluorophenyl)-3-[2-hydroxy-2-(4-methylphenyl)ethyl]urea?
The canonical SMILES for 1-(2,3-difluorophenyl)-3-[2-hydroxy-2-(4-methylphenyl)ethyl]urea is Cc1ccc(C(O)CNC(=O)Nc2cccc(F)c2F)cc1.
What is the InChIKey of 1-(2,3-difluorophenyl)-3-[2-hydroxy-2-(4-methylphenyl)ethyl]urea?
The InChIKey is AXEKGXSSVONSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O2/c1-10-5-7-11(8-6-10)14(21)9-19-16(22)20-13-4-2-3-12(17)15(13)18/h2-8,14,21H,9H2,1H3,(H2,19,20,22).
What are the key properties of 1-(2,3-difluorophenyl)-3-[2-hydroxy-2-(4-methylphenyl)ethyl]urea?
1-(2,3-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-(2,3-difluorophenyl)-3-[2-hydroxy-2-(4-methylphenyl)ethyl]urea is sourced from PubChem (CID 110908500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).