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

C13H18F2N2O — CID 108991003

IUPAC3-(2,6-difluorophenyl)-1,1-dipropylurea
SMILESCCCN(CCC)C(=O)Nc1c(F)cccc1F
InChIInChI=1S/C13H18F2N2O/c1-3-8-17(9-4-2)13(18)16-12-10(14)6-5-7-11(12)15/h5-7H,3-4,8-9H2,1-2H3,(H,16,18)
InChIKeyFGYMDZHIGJMXRH-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.62
Rot. Bonds5

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

3-(2,6-difluorophenyl)-1,1-dipropylurea (PubChem CID 108991003) has the molecular formula C13H18F2N2O and a molecular weight of 256.30 g/mol. Its IUPAC name is 3-(2,6-difluorophenyl)-1,1-dipropylurea.

Molecular Properties

Compound Name3-(2,6-difluorophenyl)-1,1-dipropylurea
PubChem CID108991003
Molecular FormulaC13H18F2N2O
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name3-(2,6-difluorophenyl)-1,1-dipropylurea
SMILESCCCN(CCC)C(=O)Nc1c(F)cccc1F
InChIInChI=1S/C13H18F2N2O/c1-3-8-17(9-4-2)13(18)16-12-10(14)6-5-7-11(12)15/h5-7H,3-4,8-9H2,1-2H3,(H,16,18)
InChIKeyFGYMDZHIGJMXRH-UHFFFAOYSA-N
XLogP3.62
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2,6-difluorophenyl)carbamoyl-propylamino]acetic acid
CID 61195377
N-(2,6-difluorophenyl)-N',N'-dipropylpropanediamide
CID 108952519
2-[carboxymethyl-[(2,6-difluorophenyl)carbamoyl]amino]acetic acid
CID 63644934
2-[[2-(2,6-difluoroanilino)-2-oxoethyl]-propylamino]acetic acid
CID 61008696
1-(2,6-difluorophenyl)-3-propylurea
CID 21161249
1-butyl-3-(2,3-difluorophenyl)-1-(2-hydroxyethyl)urea
CID 110908507
2-[(2,6-difluorophenyl)carbamoyl-prop-2-ynylamino]acetic acid
CID 79284756
3-bromo-2-[[2-hydroxyethyl(propyl)carbamoyl]amino]benzoic acid
CID 63113612
1-benzyl-1-(2-cyanoethyl)-3-(2,6-difluorophenyl)urea
CID 3325886
N-(2-fluorophenyl)-N',N'-dipropylpropanediamide
CID 108952439
N-(2-aminoethyl)-2,3-difluoro-N-propylbenzamide
CID 62649951
3-(2,6-difluoro-N-propylanilino)propanoic acid
CID 82317826

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-difluorophenyl)-1,1-dipropylurea?
The IUPAC name of 3-(2,6-difluorophenyl)-1,1-dipropylurea (CID 108991003) is 3-(2,6-difluorophenyl)-1,1-dipropylurea.
What is the SMILES notation for 3-(2,6-difluorophenyl)-1,1-dipropylurea?
The canonical SMILES for 3-(2,6-difluorophenyl)-1,1-dipropylurea is CCCN(CCC)C(=O)Nc1c(F)cccc1F.
What is the InChIKey of 3-(2,6-difluorophenyl)-1,1-dipropylurea?
The InChIKey is FGYMDZHIGJMXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O/c1-3-8-17(9-4-2)13(18)16-12-10(14)6-5-7-11(12)15/h5-7H,3-4,8-9H2,1-2H3,(H,16,18).
What are the key properties of 3-(2,6-difluorophenyl)-1,1-dipropylurea?
3-(2,6-difluorophenyl)-1,1-dipropylurea has a molecular weight of 256.30 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-difluorophenyl)-1,1-dipropylurea is sourced from PubChem (CID 108991003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).