1-(1,3-benzodioxol-5-yl)-3-(2-methylphenyl)urea

C15H14N2O3 — CID 24818736

IUPAC1-(1,3-benzodioxol-5-yl)-3-(2-methylphenyl)urea
SMILESCc1ccccc1NC(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C15H14N2O3/c1-10-4-2-3-5-12(10)17-15(18)16-11-6-7-13-14(8-11)20-9-19-13/h2-8H,9H2,1H3,(H2,16,17,18)
InChIKeyHSTNANLRALLYJP-UHFFFAOYSA-N
MW270.29 g/mol
LogP3.37
Rot. Bonds2

About 1-(1,3-benzodioxol-5-yl)-3-(2-methylphenyl)urea

1-(1,3-benzodioxol-5-yl)-3-(2-methylphenyl)urea (PubChem CID 24818736) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-3-(2-methylphenyl)urea.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-3-(2-methylphenyl)urea
PubChem CID24818736
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name1-(1,3-benzodioxol-5-yl)-3-(2-methylphenyl)urea
SMILESCc1ccccc1NC(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C15H14N2O3/c1-10-4-2-3-5-12(10)17-15(18)16-11-6-7-13-14(8-11)20-9-19-13/h2-8H,9H2,1H3,(H2,16,17,18)
InChIKeyHSTNANLRALLYJP-UHFFFAOYSA-N
XLogP3.37
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2H-1,3-Benzodioxol-5-yl)acetamide
CID 98688
(1,3-Dioxaindan-5-yl)thiourea
CID 1471599
N-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propanamide
CID 674577
N-(2H-1,3-benzodioxol-5-yl)benzamide
CID 823562
1-(2,3-dihydro-1H-inden-5-yl)-3-(3,4-dimethoxyphenyl)urea
CID 6465440
N-(1,3-benzodioxol-5-yl)-3-phenylpropanamide
CID 785916
N-(1,3-benzodioxol-5-yl)cyclohexanecarboxamide
CID 823577
1-(1,3-Benzodioxol-5-yl)-3-[4-(difluoromethoxy)-2-methylphenyl]urea
CID 969913
1-(1,3-Benzodioxol-5-yl)-3-(2-ethoxyphenyl)urea
CID 970394
1-(1,3-Benzodioxol-5-yl)-3-(2,4-difluorophenyl)urea
CID 2554270
N-(1,3-benzodioxol-5-yl)-3-(4-methylphenoxy)propanamide
CID 2572085
N-(3,4-dimethoxyphenyl)-2-methyl-1-indolinecarbothioamide
CID 2957378

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-3-(2-methylphenyl)urea?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-3-(2-methylphenyl)urea (CID 24818736) is 1-(1,3-benzodioxol-5-yl)-3-(2-methylphenyl)urea.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-3-(2-methylphenyl)urea?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-3-(2-methylphenyl)urea is Cc1ccccc1NC(=O)Nc1ccc2c(c1)OCO2.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-3-(2-methylphenyl)urea?
The InChIKey is HSTNANLRALLYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-10-4-2-3-5-12(10)17-15(18)16-11-6-7-13-14(8-11)20-9-19-13/h2-8H,9H2,1H3,(H2,16,17,18).
What are the key properties of 1-(1,3-benzodioxol-5-yl)-3-(2-methylphenyl)urea?
1-(1,3-benzodioxol-5-yl)-3-(2-methylphenyl)urea has a molecular weight of 270.29 g/mol, XLogP of 3.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-3-(2-methylphenyl)urea is sourced from PubChem (CID 24818736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).