1-(3-fluoro-2-methylphenyl)-3-(2-hydroxy-1-phenylethyl)urea

C16H17FN2O2 — CID 111521359

IUPAC1-(3-fluoro-2-methylphenyl)-3-(2-hydroxy-1-phenylethyl)urea
SMILESCc1c(F)cccc1NC(=O)NC(CO)c1ccccc1
InChIInChI=1S/C16H17FN2O2/c1-11-13(17)8-5-9-14(11)18-16(21)19-15(10-20)12-6-3-2-4-7-12/h2-9,15,20H,10H2,1H3,(H2,18,19,21)
InChIKeyZKMDJZHVJPAIAM-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.99
Rot. Bonds4

About 1-(3-fluoro-2-methylphenyl)-3-(2-hydroxy-1-phenylethyl)urea

1-(3-fluoro-2-methylphenyl)-3-(2-hydroxy-1-phenylethyl)urea (PubChem CID 111521359) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 1-(3-fluoro-2-methylphenyl)-3-(2-hydroxy-1-phenylethyl)urea.

Molecular Properties

Compound Name1-(3-fluoro-2-methylphenyl)-3-(2-hydroxy-1-phenylethyl)urea
PubChem CID111521359
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name1-(3-fluoro-2-methylphenyl)-3-(2-hydroxy-1-phenylethyl)urea
SMILESCc1c(F)cccc1NC(=O)NC(CO)c1ccccc1
InChIInChI=1S/C16H17FN2O2/c1-11-13(17)8-5-9-14(11)18-16(21)19-15(10-20)12-6-3-2-4-7-12/h2-9,15,20H,10H2,1H3,(H2,18,19,21)
InChIKeyZKMDJZHVJPAIAM-UHFFFAOYSA-N
XLogP2.99
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluorophenyl)-3-[(1R)-2-hydroxy-1-phenylethyl]urea
CID 103765021
1-(2-ethylphenyl)-3-(2-hydroxy-1-phenylethyl)urea
CID 110895839
2,6-difluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 63184322
2,6-difluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 103944481
1-(2-hydroxy-1-phenylethyl)-3-(3,4,5-trifluorophenyl)urea
CID 111458987
1-[2-(difluoromethoxy)phenyl]-3-(2-hydroxy-1-phenylethyl)urea
CID 110895833
1-[1-(2,3-difluorophenyl)ethyl]-3-[(1S)-2-hydroxy-1-phenylethyl]urea
CID 75517893
1-(2-hydroxy-1-phenylethyl)-3-[2-methyl-5-(trifluoromethyl)phenyl]urea
CID 111566306
N-(2,6-difluorophenyl)-N'-[(1S)-2-hydroxy-1-phenylethyl]oxamide
CID 111798649
1-[2-(2-fluorophenyl)ethyl]-3-(2-hydroxy-1-phenylethyl)urea
CID 110895025
2-cyano-N-(3-fluoro-2-methylphenyl)-2-phenylacetamide
CID 62876848
1-(3-fluoro-4-methylsulfanylphenyl)-3-(2-hydroxy-1-phenylethyl)urea
CID 111475376

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-2-methylphenyl)-3-(2-hydroxy-1-phenylethyl)urea?
The IUPAC name of 1-(3-fluoro-2-methylphenyl)-3-(2-hydroxy-1-phenylethyl)urea (CID 111521359) is 1-(3-fluoro-2-methylphenyl)-3-(2-hydroxy-1-phenylethyl)urea.
What is the SMILES notation for 1-(3-fluoro-2-methylphenyl)-3-(2-hydroxy-1-phenylethyl)urea?
The canonical SMILES for 1-(3-fluoro-2-methylphenyl)-3-(2-hydroxy-1-phenylethyl)urea is Cc1c(F)cccc1NC(=O)NC(CO)c1ccccc1.
What is the InChIKey of 1-(3-fluoro-2-methylphenyl)-3-(2-hydroxy-1-phenylethyl)urea?
The InChIKey is ZKMDJZHVJPAIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-11-13(17)8-5-9-14(11)18-16(21)19-15(10-20)12-6-3-2-4-7-12/h2-9,15,20H,10H2,1H3,(H2,18,19,21).
What are the key properties of 1-(3-fluoro-2-methylphenyl)-3-(2-hydroxy-1-phenylethyl)urea?
1-(3-fluoro-2-methylphenyl)-3-(2-hydroxy-1-phenylethyl)urea has a molecular weight of 288.32 g/mol, XLogP of 2.99, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-2-methylphenyl)-3-(2-hydroxy-1-phenylethyl)urea is sourced from PubChem (CID 111521359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).