1-(2,6-difluorophenyl)-3-propylurea

C10H12F2N2O — CID 21161249

IUPAC1-(2,6-difluorophenyl)-3-propylurea
SMILESCCCNC(=O)Nc1c(F)cccc1F
InChIInChI=1S/C10H12F2N2O/c1-2-6-13-10(15)14-9-7(11)4-3-5-8(9)12/h3-5H,2,6H2,1H3,(H2,13,14,15)
InChIKeyXQFWVDOVVPSHHF-UHFFFAOYSA-N
MW214.22 g/mol
LogP2.50
Rot. Bonds3

About 1-(2,6-difluorophenyl)-3-propylurea

1-(2,6-difluorophenyl)-3-propylurea (PubChem CID 21161249) has the molecular formula C10H12F2N2O and a molecular weight of 214.22 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-3-propylurea.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-3-propylurea
PubChem CID21161249
Molecular FormulaC10H12F2N2O
Molecular Weight214.22 g/mol
Exact Mass214.09
IUPAC Name1-(2,6-difluorophenyl)-3-propylurea
SMILESCCCNC(=O)Nc1c(F)cccc1F
InChIInChI=1S/C10H12F2N2O/c1-2-6-13-10(15)14-9-7(11)4-3-5-8(9)12/h3-5H,2,6H2,1H3,(H2,13,14,15)
InChIKeyXQFWVDOVVPSHHF-UHFFFAOYSA-N
XLogP2.50
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,6-difluorophenyl)-3-[2-(3-ethylphenoxy)ethyl]urea
CID 112971994
1-(2,6-difluorophenyl)-3-[3-(2-ethylhexoxy)propyl]urea
CID 3671941
1-(2,6-difluorophenyl)-3-[2-(3-methoxyphenyl)ethyl]urea
CID 108900965
1-(2,6-difluorophenyl)-3-[(2-ethylphenoxy)methyl]urea
CID 108893321
1-(2,6-difluorophenyl)-3-[(2-methylphenyl)methyl]urea
CID 47133130
3-methyl-2-(propylcarbamoylamino)benzoic acid
CID 28785842
1-(2,6-difluorophenyl)-3-(2,6-dimethylphenyl)urea
CID 108991420
1-(2-chloro-6-fluorophenyl)-3-[3-(diethylamino)propyl]urea
CID 108896533
1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-3-(2,6-difluorophenyl)urea
CID 112977247
1-(2,6-difluorophenyl)-3-(4-ethylphenyl)urea
CID 108991509
1-(2,6-difluorophenyl)-3-[3-(2-fluorophenyl)prop-2-ynyl]urea
CID 90552580
1-(2,6-difluorophenyl)-3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]urea
CID 108891619

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-3-propylurea?
The IUPAC name of 1-(2,6-difluorophenyl)-3-propylurea (CID 21161249) is 1-(2,6-difluorophenyl)-3-propylurea.
What is the SMILES notation for 1-(2,6-difluorophenyl)-3-propylurea?
The canonical SMILES for 1-(2,6-difluorophenyl)-3-propylurea is CCCNC(=O)Nc1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-3-propylurea?
The InChIKey is XQFWVDOVVPSHHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O/c1-2-6-13-10(15)14-9-7(11)4-3-5-8(9)12/h3-5H,2,6H2,1H3,(H2,13,14,15).
What are the key properties of 1-(2,6-difluorophenyl)-3-propylurea?
1-(2,6-difluorophenyl)-3-propylurea has a molecular weight of 214.22 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-3-propylurea is sourced from PubChem (CID 21161249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).