1-(3,5-dichlorophenyl)-3-(oxolan-2-ylmethyl)urea

C12H14Cl2N2O2 — CID 6466967

IUPAC1-(3,5-dichlorophenyl)-3-(oxolan-2-ylmethyl)urea
SMILESO=C(NCC1CCCO1)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H14Cl2N2O2/c13-8-4-9(14)6-10(5-8)16-12(17)15-7-11-2-1-3-18-11/h4-6,11H,1-3,7H2,(H2,15,16,17)
InChIKeyZMYFHEAXUNWZJB-UHFFFAOYSA-N
MW289.16 g/mol
LogP3.29
Rot. Bonds3

About 1-(3,5-dichlorophenyl)-3-(oxolan-2-ylmethyl)urea

1-(3,5-dichlorophenyl)-3-(oxolan-2-ylmethyl)urea (PubChem CID 6466967) has the molecular formula C12H14Cl2N2O2 and a molecular weight of 289.16 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-3-(oxolan-2-ylmethyl)urea.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-3-(oxolan-2-ylmethyl)urea
PubChem CID6466967
Molecular FormulaC12H14Cl2N2O2
Molecular Weight289.16 g/mol
Exact Mass288.04
IUPAC Name1-(3,5-dichlorophenyl)-3-(oxolan-2-ylmethyl)urea
SMILESO=C(NCC1CCCO1)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H14Cl2N2O2/c13-8-4-9(14)6-10(5-8)16-12(17)15-7-11-2-1-3-18-11/h4-6,11H,1-3,7H2,(H2,15,16,17)
InChIKeyZMYFHEAXUNWZJB-UHFFFAOYSA-N
XLogP3.29
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.16
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(3,5-dichlorophenyl)-3-(oxolan-2-ylmethyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,5-dichlorophenyl)-3-[[(2R)-oxolan-2-yl]methyl]thiourea
CID 8658316
dimethyl 5-(oxolan-2-ylmethylcarbamoylamino)benzene-1,3-dicarboxylate
CID 3788789
1-(4-chloro-3-fluorophenyl)-3-(oxolan-2-ylmethyl)urea
CID 47223543
1-(4-chloro-2-fluorophenyl)-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 28946591
1-(5-chloro-2-methylphenyl)-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 51427378
1-[4-chloro-3-(difluoromethoxy)phenyl]-3-(oxolan-2-ylmethyl)urea
CID 75451511
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 27474064
5-chloro-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]furan-2-carboxamide
CID 46537419
4-[(3-chlorophenyl)carbamoylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 17205676
2-[[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120974690
1-cyclohexyl-3-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]urea
CID 134039404
2-hydroxy-4-(oxolan-2-ylmethylcarbamoylamino)benzoic acid
CID 61191613

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-3-(oxolan-2-ylmethyl)urea?
The IUPAC name of 1-(3,5-dichlorophenyl)-3-(oxolan-2-ylmethyl)urea (CID 6466967) is 1-(3,5-dichlorophenyl)-3-(oxolan-2-ylmethyl)urea.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-3-(oxolan-2-ylmethyl)urea?
The canonical SMILES for 1-(3,5-dichlorophenyl)-3-(oxolan-2-ylmethyl)urea is O=C(NCC1CCCO1)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1-(3,5-dichlorophenyl)-3-(oxolan-2-ylmethyl)urea?
The InChIKey is ZMYFHEAXUNWZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O2/c13-8-4-9(14)6-10(5-8)16-12(17)15-7-11-2-1-3-18-11/h4-6,11H,1-3,7H2,(H2,15,16,17).
What are the key properties of 1-(3,5-dichlorophenyl)-3-(oxolan-2-ylmethyl)urea?
1-(3,5-dichlorophenyl)-3-(oxolan-2-ylmethyl)urea has a molecular weight of 289.16 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)-3-(oxolan-2-ylmethyl)urea is sourced from PubChem (CID 6466967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).