1-[2-(2-fluorophenyl)ethyl]-3-(2,4,6-trimethylphenyl)urea

C18H21FN2O — CID 108900009

IUPAC1-[2-(2-fluorophenyl)ethyl]-3-(2,4,6-trimethylphenyl)urea
SMILESCc1cc(C)c(NC(=O)NCCc2ccccc2F)c(C)c1
InChIInChI=1S/C18H21FN2O/c1-12-10-13(2)17(14(3)11-12)21-18(22)20-9-8-15-6-4-5-7-16(15)19/h4-7,10-11H,8-9H2,1-3H3,(H2,20,21,22)
InChIKeyCDMNYHDSRIYDPM-UHFFFAOYSA-N
MW300.38 g/mol
LogP4.12
Rot. Bonds4

About 1-[2-(2-fluorophenyl)ethyl]-3-(2,4,6-trimethylphenyl)urea

1-[2-(2-fluorophenyl)ethyl]-3-(2,4,6-trimethylphenyl)urea (PubChem CID 108900009) has the molecular formula C18H21FN2O and a molecular weight of 300.38 g/mol. Its IUPAC name is 1-[2-(2-fluorophenyl)ethyl]-3-(2,4,6-trimethylphenyl)urea.

Molecular Properties

Compound Name1-[2-(2-fluorophenyl)ethyl]-3-(2,4,6-trimethylphenyl)urea
PubChem CID108900009
Molecular FormulaC18H21FN2O
Molecular Weight300.38 g/mol
Exact Mass300.16
IUPAC Name1-[2-(2-fluorophenyl)ethyl]-3-(2,4,6-trimethylphenyl)urea
SMILESCc1cc(C)c(NC(=O)NCCc2ccccc2F)c(C)c1
InChIInChI=1S/C18H21FN2O/c1-12-10-13(2)17(14(3)11-12)21-18(22)20-9-8-15-6-4-5-7-16(15)19/h4-7,10-11H,8-9H2,1-3H3,(H2,20,21,22)
InChIKeyCDMNYHDSRIYDPM-UHFFFAOYSA-N
XLogP4.12
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-4,6-dimethylphenyl)-3-[2-(2-chlorophenyl)ethyl]urea
CID 108900379
1-(2,6-dichlorophenyl)-3-[2-(2-fluorophenyl)ethyl]urea
CID 108900131
1-(2-ethylphenyl)-3-[2-(2-fluorophenyl)ethyl]urea
CID 108900106
1-[2-(2-fluorophenyl)ethyl]-3-(5-methyl-2-pyridinyl)urea
CID 108900165
N-[2-(2-fluorophenyl)ethyl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 31282077
1-[2-(2-fluorophenyl)ethyl]-3-[(4-methylphenyl)methyl]urea
CID 51290890
1-(4-chloro-2-methoxy-5-methylphenyl)-3-[2-(2-fluorophenyl)ethyl]urea
CID 108900136
1-[2-(2-ethylphenoxy)ethyl]-3-(2,4,6-trimethylphenyl)urea
CID 112971734
1-[2-(2-fluorophenyl)ethyl]-3-(6-methyl-3-pyridinyl)urea
CID 108900164
1-(5-chloro-2-methylsulfanylphenyl)-3-[2-(2-fluorophenyl)ethyl]urea
CID 60588730
1-(3-fluoro-2-methylphenyl)-3-(2,4,6-trimethylphenyl)urea
CID 46860092
N-(2,6-dimethylphenyl)-2-[2-(2-fluorophenyl)ethylamino]acetamide
CID 109000172

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenyl)ethyl]-3-(2,4,6-trimethylphenyl)urea?
The IUPAC name of 1-[2-(2-fluorophenyl)ethyl]-3-(2,4,6-trimethylphenyl)urea (CID 108900009) is 1-[2-(2-fluorophenyl)ethyl]-3-(2,4,6-trimethylphenyl)urea.
What is the SMILES notation for 1-[2-(2-fluorophenyl)ethyl]-3-(2,4,6-trimethylphenyl)urea?
The canonical SMILES for 1-[2-(2-fluorophenyl)ethyl]-3-(2,4,6-trimethylphenyl)urea is Cc1cc(C)c(NC(=O)NCCc2ccccc2F)c(C)c1.
What is the InChIKey of 1-[2-(2-fluorophenyl)ethyl]-3-(2,4,6-trimethylphenyl)urea?
The InChIKey is CDMNYHDSRIYDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O/c1-12-10-13(2)17(14(3)11-12)21-18(22)20-9-8-15-6-4-5-7-16(15)19/h4-7,10-11H,8-9H2,1-3H3,(H2,20,21,22).
What are the key properties of 1-[2-(2-fluorophenyl)ethyl]-3-(2,4,6-trimethylphenyl)urea?
1-[2-(2-fluorophenyl)ethyl]-3-(2,4,6-trimethylphenyl)urea has a molecular weight of 300.38 g/mol, XLogP of 4.12, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenyl)ethyl]-3-(2,4,6-trimethylphenyl)urea is sourced from PubChem (CID 108900009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).