1-[2-(4-fluoro-3-methylphenyl)ethyl]-3-methylurea

C11H15FN2O — CID 115169314

IUPAC1-[2-(4-fluoro-3-methylphenyl)ethyl]-3-methylurea
SMILESCNC(=O)NCCc1ccc(F)c(C)c1
InChIInChI=1S/C11H15FN2O/c1-8-7-9(3-4-10(8)12)5-6-14-11(15)13-2/h3-4,7H,5-6H2,1-2H3,(H2,13,14,15)
InChIKeyUYEFMGQERUCUNT-UHFFFAOYSA-N
MW210.25 g/mol
LogP1.61
Rot. Bonds3

About 1-[2-(4-fluoro-3-methylphenyl)ethyl]-3-methylurea

1-[2-(4-fluoro-3-methylphenyl)ethyl]-3-methylurea (PubChem CID 115169314) has the molecular formula C11H15FN2O and a molecular weight of 210.25 g/mol. Its IUPAC name is 1-[2-(4-fluoro-3-methylphenyl)ethyl]-3-methylurea.

Molecular Properties

Compound Name1-[2-(4-fluoro-3-methylphenyl)ethyl]-3-methylurea
PubChem CID115169314
Molecular FormulaC11H15FN2O
Molecular Weight210.25 g/mol
Exact Mass210.12
IUPAC Name1-[2-(4-fluoro-3-methylphenyl)ethyl]-3-methylurea
SMILESCNC(=O)NCCc1ccc(F)c(C)c1
InChIInChI=1S/C11H15FN2O/c1-8-7-9(3-4-10(8)12)5-6-14-11(15)13-2/h3-4,7H,5-6H2,1-2H3,(H2,13,14,15)
InChIKeyUYEFMGQERUCUNT-UHFFFAOYSA-N
XLogP1.61
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(4-fluoro-3-methylphenyl)ethyl]-2-hydroxyacetamide
CID 115140036
1-methyl-3-[2-(4-methylphenyl)ethyl]urea
CID 18334314
1-[2-(4-fluoro-3-methylphenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 115181931
4-amino-N-[2-(4-fluoro-3-methylphenyl)ethyl]-4-methylpentanamide
CID 115157607
N-[2-(4-fluoro-3-methylphenyl)ethyl]-3,5-dimethoxybenzamide
CID 110787364
1-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]-3-methylurea
CID 115169411
1-methyl-3-[2-(4-methylsulfanylphenyl)ethyl]urea
CID 115169381
1-[2-(3,4-dimethylphenyl)ethyl]-3-propylurea
CID 110775625
N-[2-(4-fluoro-3-methylphenyl)ethyl]-3,4,5-trimethoxybenzamide
CID 110787367
1-chloro-4-(4-fluoro-3-methylphenyl)butan-2-one
CID 134085976
N'-[2-(4-fluoro-3-methylphenyl)ethyl]methanediamine
CID 115226004
[2-(4-fluoro-3-methylphenyl)ethylamino]methanethiol
CID 115228200

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluoro-3-methylphenyl)ethyl]-3-methylurea?
The IUPAC name of 1-[2-(4-fluoro-3-methylphenyl)ethyl]-3-methylurea (CID 115169314) is 1-[2-(4-fluoro-3-methylphenyl)ethyl]-3-methylurea.
What is the SMILES notation for 1-[2-(4-fluoro-3-methylphenyl)ethyl]-3-methylurea?
The canonical SMILES for 1-[2-(4-fluoro-3-methylphenyl)ethyl]-3-methylurea is CNC(=O)NCCc1ccc(F)c(C)c1.
What is the InChIKey of 1-[2-(4-fluoro-3-methylphenyl)ethyl]-3-methylurea?
The InChIKey is UYEFMGQERUCUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O/c1-8-7-9(3-4-10(8)12)5-6-14-11(15)13-2/h3-4,7H,5-6H2,1-2H3,(H2,13,14,15).
What are the key properties of 1-[2-(4-fluoro-3-methylphenyl)ethyl]-3-methylurea?
1-[2-(4-fluoro-3-methylphenyl)ethyl]-3-methylurea has a molecular weight of 210.25 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluoro-3-methylphenyl)ethyl]-3-methylurea is sourced from PubChem (CID 115169314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).