1-butyl-3-(2,3-difluorophenyl)-1-(2-hydroxyethyl)urea

C13H18F2N2O2 — CID 110908507

IUPAC1-butyl-3-(2,3-difluorophenyl)-1-(2-hydroxyethyl)urea
SMILESCCCCN(CCO)C(=O)Nc1cccc(F)c1F
InChIInChI=1S/C13H18F2N2O2/c1-2-3-7-17(8-9-18)13(19)16-11-6-4-5-10(14)12(11)15/h4-6,18H,2-3,7-9H2,1H3,(H,16,19)
InChIKeyGZXKWLCEPVBJON-UHFFFAOYSA-N
MW272.29 g/mol
LogP2.59
Rot. Bonds6

About 1-butyl-3-(2,3-difluorophenyl)-1-(2-hydroxyethyl)urea

1-butyl-3-(2,3-difluorophenyl)-1-(2-hydroxyethyl)urea (PubChem CID 110908507) has the molecular formula C13H18F2N2O2 and a molecular weight of 272.29 g/mol. Its IUPAC name is 1-butyl-3-(2,3-difluorophenyl)-1-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name1-butyl-3-(2,3-difluorophenyl)-1-(2-hydroxyethyl)urea
PubChem CID110908507
Molecular FormulaC13H18F2N2O2
Molecular Weight272.29 g/mol
Exact Mass272.13
IUPAC Name1-butyl-3-(2,3-difluorophenyl)-1-(2-hydroxyethyl)urea
SMILESCCCCN(CCO)C(=O)Nc1cccc(F)c1F
InChIInChI=1S/C13H18F2N2O2/c1-2-3-7-17(8-9-18)13(19)16-11-6-4-5-10(14)12(11)15/h4-6,18H,2-3,7-9H2,1H3,(H,16,19)
InChIKeyGZXKWLCEPVBJON-UHFFFAOYSA-N
XLogP2.59
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.29
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,5-difluorophenyl)-1-(2-hydroxyethyl)-1-pentylurea
CID 111120402
1,1-dibutyl-3-(2,3-dimethylphenyl)urea
CID 4157557
3-(5-bromo-2-fluorophenyl)-1-(2-hydroxyethyl)-1-pentylurea
CID 111120739
1-butyl-3-(3-fluoro-4-methylsulfanylphenyl)-1-(2-hydroxyethyl)urea
CID 111475389
3-[[2-hydroxyethyl(propyl)carbamoyl]amino]-2-methylbenzoic acid
CID 62948763
N-butyl-2,3,4-trifluoro-N-(2-hydroxyethyl)benzamide
CID 79749456
1-(2-hydroxyethyl)-3-phenyl-1-undecylurea
CID 70451899
1-butyl-3-(5-fluoro-2-pyrazol-1-ylphenyl)-1-(2-hydroxyethyl)urea
CID 111107528
3-(2,6-difluorophenyl)-1,1-dipropylurea
CID 108991003
2-[2-[[2-hydroxyethyl(propyl)carbamoyl]amino]phenyl]acetic acid
CID 62535180
3-(3,5-difluorophenyl)-1-(2-hydroxyethyl)-1-pentylurea
CID 111120524
3-(5-bromo-2-fluorophenyl)-1-(2-hydroxyethyl)-1-propylurea
CID 111117091

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-(2,3-difluorophenyl)-1-(2-hydroxyethyl)urea?
The IUPAC name of 1-butyl-3-(2,3-difluorophenyl)-1-(2-hydroxyethyl)urea (CID 110908507) is 1-butyl-3-(2,3-difluorophenyl)-1-(2-hydroxyethyl)urea.
What is the SMILES notation for 1-butyl-3-(2,3-difluorophenyl)-1-(2-hydroxyethyl)urea?
The canonical SMILES for 1-butyl-3-(2,3-difluorophenyl)-1-(2-hydroxyethyl)urea is CCCCN(CCO)C(=O)Nc1cccc(F)c1F.
What is the InChIKey of 1-butyl-3-(2,3-difluorophenyl)-1-(2-hydroxyethyl)urea?
The InChIKey is GZXKWLCEPVBJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O2/c1-2-3-7-17(8-9-18)13(19)16-11-6-4-5-10(14)12(11)15/h4-6,18H,2-3,7-9H2,1H3,(H,16,19).
What are the key properties of 1-butyl-3-(2,3-difluorophenyl)-1-(2-hydroxyethyl)urea?
1-butyl-3-(2,3-difluorophenyl)-1-(2-hydroxyethyl)urea has a molecular weight of 272.29 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-(2,3-difluorophenyl)-1-(2-hydroxyethyl)urea is sourced from PubChem (CID 110908507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).