1-[1-(4-fluoro-3,5-dimethylphenyl)ethyl]-3-(4-hydroxy-2-methylbutyl)urea

C16H25FN2O2 — CID 111508335

IUPAC1-[1-(4-fluoro-3,5-dimethylphenyl)ethyl]-3-(4-hydroxy-2-methylbutyl)urea
SMILESCc1cc(C(C)NC(=O)NCC(C)CCO)cc(C)c1F
InChIInChI=1S/C16H25FN2O2/c1-10(5-6-20)9-18-16(21)19-13(4)14-7-11(2)15(17)12(3)8-14/h7-8,10,13,20H,5-6,9H2,1-4H3,(H2,18,19,21)
InChIKeyONYHULJQSDLHRP-UHFFFAOYSA-N
MW296.39 g/mol
LogP2.82
Rot. Bonds6

About 1-[1-(4-fluoro-3,5-dimethylphenyl)ethyl]-3-(4-hydroxy-2-methylbutyl)urea

1-[1-(4-fluoro-3,5-dimethylphenyl)ethyl]-3-(4-hydroxy-2-methylbutyl)urea (PubChem CID 111508335) has the molecular formula C16H25FN2O2 and a molecular weight of 296.39 g/mol. Its IUPAC name is 1-[1-(4-fluoro-3,5-dimethylphenyl)ethyl]-3-(4-hydroxy-2-methylbutyl)urea.

Molecular Properties

Compound Name1-[1-(4-fluoro-3,5-dimethylphenyl)ethyl]-3-(4-hydroxy-2-methylbutyl)urea
PubChem CID111508335
Molecular FormulaC16H25FN2O2
Molecular Weight296.39 g/mol
Exact Mass296.19
IUPAC Name1-[1-(4-fluoro-3,5-dimethylphenyl)ethyl]-3-(4-hydroxy-2-methylbutyl)urea
SMILESCc1cc(C(C)NC(=O)NCC(C)CCO)cc(C)c1F
InChIInChI=1S/C16H25FN2O2/c1-10(5-6-20)9-18-16(21)19-13(4)14-7-11(2)15(17)12(3)8-14/h7-8,10,13,20H,5-6,9H2,1-4H3,(H2,18,19,21)
InChIKeyONYHULJQSDLHRP-UHFFFAOYSA-N
XLogP2.82
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(3,4-difluorophenyl)ethyl]-3-(4-hydroxy-2-methylbutyl)urea
CID 111503722
1-(4-hydroxy-2-methylbutyl)-3-(1-phenylethyl)urea
CID 111503751
1-(4-hydroxy-2-methylbutyl)-3-[1-(4-phenylphenyl)ethyl]urea
CID 111503985
1-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-(4-hydroxy-2-methylbutyl)urea
CID 111508273
1-(4-hydroxy-2-methylbutyl)-3-[2-(4-methylphenyl)propyl]urea
CID 111506589
4-methyl-5-[1-(4-methylphenyl)ethylcarbamoylamino]pentanoic acid
CID 82014749
1-[1-(2,5-difluorophenyl)propyl]-3-(4-hydroxy-2-methylbutyl)urea
CID 111506835
1-[(1R)-1-(3,4-difluorophenyl)ethyl]-3-(2-methylpropyl)urea
CID 51650211
4-[1-(3,4-dimethylphenyl)ethylamino]-3-methylbutan-1-ol
CID 66090823
2,4,6-trifluoro-N-(4-hydroxy-2-methylbutyl)benzamide
CID 66108784
1-(3,5-difluoro-4-methoxyphenyl)-3-(4-hydroxy-2-methylbutyl)urea
CID 111473970
1-(3-chloro-2-fluorophenyl)-3-(4-hydroxy-2-methylbutyl)urea
CID 111473329

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluoro-3,5-dimethylphenyl)ethyl]-3-(4-hydroxy-2-methylbutyl)urea?
The IUPAC name of 1-[1-(4-fluoro-3,5-dimethylphenyl)ethyl]-3-(4-hydroxy-2-methylbutyl)urea (CID 111508335) is 1-[1-(4-fluoro-3,5-dimethylphenyl)ethyl]-3-(4-hydroxy-2-methylbutyl)urea.
What is the SMILES notation for 1-[1-(4-fluoro-3,5-dimethylphenyl)ethyl]-3-(4-hydroxy-2-methylbutyl)urea?
The canonical SMILES for 1-[1-(4-fluoro-3,5-dimethylphenyl)ethyl]-3-(4-hydroxy-2-methylbutyl)urea is Cc1cc(C(C)NC(=O)NCC(C)CCO)cc(C)c1F.
What is the InChIKey of 1-[1-(4-fluoro-3,5-dimethylphenyl)ethyl]-3-(4-hydroxy-2-methylbutyl)urea?
The InChIKey is ONYHULJQSDLHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O2/c1-10(5-6-20)9-18-16(21)19-13(4)14-7-11(2)15(17)12(3)8-14/h7-8,10,13,20H,5-6,9H2,1-4H3,(H2,18,19,21).
What are the key properties of 1-[1-(4-fluoro-3,5-dimethylphenyl)ethyl]-3-(4-hydroxy-2-methylbutyl)urea?
1-[1-(4-fluoro-3,5-dimethylphenyl)ethyl]-3-(4-hydroxy-2-methylbutyl)urea has a molecular weight of 296.39 g/mol, XLogP of 2.82, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluoro-3,5-dimethylphenyl)ethyl]-3-(4-hydroxy-2-methylbutyl)urea is sourced from PubChem (CID 111508335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).