1-(2,5-dichlorophenyl)-3-(2-hydroxybutyl)urea

C11H14Cl2N2O2 — CID 113492767

IUPAC1-(2,5-dichlorophenyl)-3-(2-hydroxybutyl)urea
SMILESCCC(O)CNC(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C11H14Cl2N2O2/c1-2-8(16)6-14-11(17)15-10-5-7(12)3-4-9(10)13/h3-5,8,16H,2,6H2,1H3,(H2,14,15,17)
InChIKeyXUEPMIJCGOUWGV-UHFFFAOYSA-N
MW277.15 g/mol
LogP2.89
Rot. Bonds4

About 1-(2,5-dichlorophenyl)-3-(2-hydroxybutyl)urea

1-(2,5-dichlorophenyl)-3-(2-hydroxybutyl)urea (PubChem CID 113492767) has the molecular formula C11H14Cl2N2O2 and a molecular weight of 277.15 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-3-(2-hydroxybutyl)urea.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-3-(2-hydroxybutyl)urea
PubChem CID113492767
Molecular FormulaC11H14Cl2N2O2
Molecular Weight277.15 g/mol
Exact Mass276.04
IUPAC Name1-(2,5-dichlorophenyl)-3-(2-hydroxybutyl)urea
SMILESCCC(O)CNC(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C11H14Cl2N2O2/c1-2-8(16)6-14-11(17)15-10-5-7(12)3-4-9(10)13/h3-5,8,16H,2,6H2,1H3,(H2,14,15,17)
InChIKeyXUEPMIJCGOUWGV-UHFFFAOYSA-N
XLogP2.89
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.15
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dichlorophenyl)-3-(3-methyl-2-propan-2-ylbutyl)urea
CID 102916204
1-(2,5-dichlorophenyl)-3-(2-hydroxy-3-pyrrolidin-1-ylpropyl)urea
CID 110923525
1-(2,5-dichlorophenyl)-3-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]urea
CID 52591003
2-[[(2,5-dichlorophenyl)carbamoylamino]methyl]pentanoic acid
CID 65219353
2-[[(2,5-dichlorophenyl)carbamoylamino]methyl]-3-methylbutanoic acid
CID 65219401
1-(2,5-dichlorophenyl)-3-(3-methyl-2-oxobutyl)urea
CID 64993936
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-ethylbutanamide
CID 47097189
1-(1-aminobutan-2-yl)-3-(2,5-dichlorophenyl)urea
CID 65193306
4-chloro-2-(2-methylbutylcarbamoylamino)benzoic acid
CID 62692918
2-[[(2,4-dichlorophenyl)carbamoylamino]methyl]butanoic acid
CID 65219369
1-(2-chloro-5-methoxyphenyl)-3-(2-hydroxy-4-methylpentyl)urea
CID 111431527
1-(2,5-dichlorophenyl)-3-[(2S)-1-hydroxypropan-2-yl]urea
CID 79023669

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-3-(2-hydroxybutyl)urea?
The IUPAC name of 1-(2,5-dichlorophenyl)-3-(2-hydroxybutyl)urea (CID 113492767) is 1-(2,5-dichlorophenyl)-3-(2-hydroxybutyl)urea.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-3-(2-hydroxybutyl)urea?
The canonical SMILES for 1-(2,5-dichlorophenyl)-3-(2-hydroxybutyl)urea is CCC(O)CNC(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(2,5-dichlorophenyl)-3-(2-hydroxybutyl)urea?
The InChIKey is XUEPMIJCGOUWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O2/c1-2-8(16)6-14-11(17)15-10-5-7(12)3-4-9(10)13/h3-5,8,16H,2,6H2,1H3,(H2,14,15,17).
What are the key properties of 1-(2,5-dichlorophenyl)-3-(2-hydroxybutyl)urea?
1-(2,5-dichlorophenyl)-3-(2-hydroxybutyl)urea has a molecular weight of 277.15 g/mol, XLogP of 2.89, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-3-(2-hydroxybutyl)urea is sourced from PubChem (CID 113492767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).