1-(2,6-dimethylphenyl)-3-(2-fluoroethyl)urea

C11H15FN2O — CID 59778684

IUPAC1-(2,6-dimethylphenyl)-3-(2-fluoroethyl)urea
SMILESCc1cccc(C)c1NC(=O)NCCF
InChIInChI=1S/C11H15FN2O/c1-8-4-3-5-9(2)10(8)14-11(15)13-7-6-12/h3-5H,6-7H2,1-2H3,(H2,13,14,15)
InChIKeyXPLIDZLOEKRCKH-UHFFFAOYSA-N
MW210.25 g/mol
LogP2.39
Rot. Bonds3

About 1-(2,6-dimethylphenyl)-3-(2-fluoroethyl)urea

1-(2,6-dimethylphenyl)-3-(2-fluoroethyl)urea (PubChem CID 59778684) has the molecular formula C11H15FN2O and a molecular weight of 210.25 g/mol. Its IUPAC name is 1-(2,6-dimethylphenyl)-3-(2-fluoroethyl)urea.

Molecular Properties

Compound Name1-(2,6-dimethylphenyl)-3-(2-fluoroethyl)urea
PubChem CID59778684
Molecular FormulaC11H15FN2O
Molecular Weight210.25 g/mol
Exact Mass210.12
IUPAC Name1-(2,6-dimethylphenyl)-3-(2-fluoroethyl)urea
SMILESCc1cccc(C)c1NC(=O)NCCF
InChIInChI=1S/C11H15FN2O/c1-8-4-3-5-9(2)10(8)14-11(15)13-7-6-12/h3-5H,6-7H2,1-2H3,(H2,13,14,15)
InChIKeyXPLIDZLOEKRCKH-UHFFFAOYSA-N
XLogP2.39
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 ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chloropropyl)-3-(2,6-dimethylphenyl)urea
CID 13326597
1-benzyl-3-(2,6-dimethylphenyl)urea
CID 2823182
2-[(2,6-dimethylphenyl)carbamoylamino]-N-ethylacetamide
CID 86987364
1-(2,6-dimethylphenyl)-3-[2-(4-ethoxyphenoxy)ethyl]urea
CID 112973189
3-methyl-2-(propylcarbamoylamino)benzoic acid
CID 28785842
1-butyl-3-(2-ethyl-6-methylphenyl)urea
CID 4278345
1-(2,6-difluorophenyl)-3-(2,6-dimethylphenyl)urea
CID 108991420
1-(2,6-dimethylphenyl)-3-[3-(propylideneamino)propyl]urea
CID 54185087
1-[3-(cyclopropylmethoxy)propyl]-3-(2,6-dimethylphenyl)urea
CID 47133545
1-[2-(cyclohexen-1-yl)ethyl]-3-(2,6-dimethylphenyl)urea
CID 4995212
1-[(3,4-dimethylphenoxy)methyl]-3-(2,6-dimethylphenyl)urea
CID 108879253
N,N'-bis(2,6-dimethylphenyl)oxamide
CID 3764178

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylphenyl)-3-(2-fluoroethyl)urea?
The IUPAC name of 1-(2,6-dimethylphenyl)-3-(2-fluoroethyl)urea (CID 59778684) is 1-(2,6-dimethylphenyl)-3-(2-fluoroethyl)urea.
What is the SMILES notation for 1-(2,6-dimethylphenyl)-3-(2-fluoroethyl)urea?
The canonical SMILES for 1-(2,6-dimethylphenyl)-3-(2-fluoroethyl)urea is Cc1cccc(C)c1NC(=O)NCCF.
What is the InChIKey of 1-(2,6-dimethylphenyl)-3-(2-fluoroethyl)urea?
The InChIKey is XPLIDZLOEKRCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O/c1-8-4-3-5-9(2)10(8)14-11(15)13-7-6-12/h3-5H,6-7H2,1-2H3,(H2,13,14,15).
What are the key properties of 1-(2,6-dimethylphenyl)-3-(2-fluoroethyl)urea?
1-(2,6-dimethylphenyl)-3-(2-fluoroethyl)urea has a molecular weight of 210.25 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylphenyl)-3-(2-fluoroethyl)urea is sourced from PubChem (CID 59778684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).