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

C16H15ClN2O3 — CID 67607201

IUPAC1-(4-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)urea
SMILESNC(=O)N(CC1COc2ccccc2O1)c1ccc(Cl)cc1
InChIInChI=1S/C16H15ClN2O3/c17-11-5-7-12(8-6-11)19(16(18)20)9-13-10-21-14-3-1-2-4-15(14)22-13/h1-8,13H,9-10H2,(H2,18,20)
InChIKeyXDAMZWZPGGPLEO-UHFFFAOYSA-N
MW318.76 g/mol
LogP3.07
Rot. Bonds3

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

1-(4-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)urea (PubChem CID 67607201) has the molecular formula C16H15ClN2O3 and a molecular weight of 318.76 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)urea
PubChem CID67607201
Molecular FormulaC16H15ClN2O3
Molecular Weight318.76 g/mol
Exact Mass318.08
IUPAC Name1-(4-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)urea
SMILESNC(=O)N(CC1COc2ccccc2O1)c1ccc(Cl)cc1
InChIInChI=1S/C16H15ClN2O3/c17-11-5-7-12(8-6-11)19(16(18)20)9-13-10-21-14-3-1-2-4-15(14)22-13/h1-8,13H,9-10H2,(H2,18,20)
InChIKeyXDAMZWZPGGPLEO-UHFFFAOYSA-N
XLogP3.07
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chlorophenyl)methylsulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylacetamide
CID 112792018
2,5-dichloro-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylbenzamide
CID 55329965
2-(4-chloro-N-methylsulfonylanilino)-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]acetamide
CID 125075099
5-chloro-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-hydroxy-N-methylbenzamide
CID 93239747
3-[2-(4-chlorophenyl)-2-methylpropyl]-1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-methylurea
CID 55912204
N-[2-(4-chlorophenyl)ethyl]-2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)amino]acetamide
CID 4784187
3,5-dichloro-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]benzamide
CID 716345
2-[N-(benzenesulfonyl)-4-chloroanilino]-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]acetamide
CID 125074018
2-(4-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanone
CID 65350693
2-amino-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethylacetamide
CID 60718700
(2R)-2-(4-chloro-N-methylsulfonylanilino)-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]propanamide
CID 125073989
(3R)-3-(chloromethyl)-2,3-dihydro-1,4-benzodioxine
CID 736477

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)urea?
The IUPAC name of 1-(4-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)urea (CID 67607201) is 1-(4-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)urea.
What is the SMILES notation for 1-(4-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)urea?
The canonical SMILES for 1-(4-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)urea is NC(=O)N(CC1COc2ccccc2O1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)urea?
The InChIKey is XDAMZWZPGGPLEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O3/c17-11-5-7-12(8-6-11)19(16(18)20)9-13-10-21-14-3-1-2-4-15(14)22-13/h1-8,13H,9-10H2,(H2,18,20).
What are the key properties of 1-(4-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)urea?
1-(4-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)urea has a molecular weight of 318.76 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)urea is sourced from PubChem (CID 67607201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).