1-(2-chlorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)urea

C16H15ClN2O3 — CID 51168557

IUPAC1-(2-chlorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)urea
SMILESO=C(NCc1ccc2c(c1)OCCO2)Nc1ccccc1Cl
InChIInChI=1S/C16H15ClN2O3/c17-12-3-1-2-4-13(12)19-16(20)18-10-11-5-6-14-15(9-11)22-8-7-21-14/h1-6,9H,7-8,10H2,(H2,18,19,20)
InChIKeyVOQGHZOVHQOMIB-UHFFFAOYSA-N
MW318.76 g/mol
LogP3.43
Rot. Bonds3

About 1-(2-chlorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)urea

1-(2-chlorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)urea (PubChem CID 51168557) has the molecular formula C16H15ClN2O3 and a molecular weight of 318.76 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)urea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)urea
PubChem CID51168557
Molecular FormulaC16H15ClN2O3
Molecular Weight318.76 g/mol
Exact Mass318.08
IUPAC Name1-(2-chlorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)urea
SMILESO=C(NCc1ccc2c(c1)OCCO2)Nc1ccccc1Cl
InChIInChI=1S/C16H15ClN2O3/c17-12-3-1-2-4-13(12)19-16(20)18-10-11-5-6-14-15(9-11)22-8-7-21-14/h1-6,9H,7-8,10H2,(H2,18,19,20)
InChIKeyVOQGHZOVHQOMIB-UHFFFAOYSA-N
XLogP3.43
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2-chlorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-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

3-(2-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)propanamide
CID 36913411
1-(1,3-benzodioxol-5-ylmethyl)-3-(2-iodophenyl)urea
CID 108868905
1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-[[2-(piperidin-1-ylmethyl)phenyl]methyl]urea
CID 30304866
4-(2-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazine-1-carboxamide
CID 27537986
1-[(5-chlorothiophen-2-yl)methyl]-3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)urea
CID 33410773
1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-(2-hydroxyethyl)urea
CID 71894166
N-(2-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carboxamide
CID 55451344
1-(2-bromophenyl)-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]urea
CID 113217527
1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-[3-(2-phenylethynyl)phenyl]urea
CID 112825404
methyl (3S)-3-(2-chlorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylcarbamoylamino)propanoate
CID 36511132
2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(2-chlorophenyl)acetamide
CID 55386498
1-(1,3-benzodioxol-5-yl)-3-[(2-chlorophenyl)methyl]urea
CID 35524616

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)urea?
The IUPAC name of 1-(2-chlorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)urea (CID 51168557) is 1-(2-chlorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)urea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)urea?
The canonical SMILES for 1-(2-chlorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)urea is O=C(NCc1ccc2c(c1)OCCO2)Nc1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)urea?
The InChIKey is VOQGHZOVHQOMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O3/c17-12-3-1-2-4-13(12)19-16(20)18-10-11-5-6-14-15(9-11)22-8-7-21-14/h1-6,9H,7-8,10H2,(H2,18,19,20).
What are the key properties of 1-(2-chlorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)urea?
1-(2-chlorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)urea has a molecular weight of 318.76 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)urea is sourced from PubChem (CID 51168557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).