1-(1,3-benzodioxol-5-yl)-3-[(2-chlorophenyl)methyl]urea

C15H13ClN2O3 — CID 35524616

IUPAC1-(1,3-benzodioxol-5-yl)-3-[(2-chlorophenyl)methyl]urea
SMILESO=C(NCc1ccccc1Cl)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C15H13ClN2O3/c16-12-4-2-1-3-10(12)8-17-15(19)18-11-5-6-13-14(7-11)21-9-20-13/h1-7H,8-9H2,(H2,17,18,19)
InChIKeyCDJHQTYVVSALCV-UHFFFAOYSA-N
MW304.73 g/mol
LogP3.39
Rot. Bonds3

About 1-(1,3-benzodioxol-5-yl)-3-[(2-chlorophenyl)methyl]urea

1-(1,3-benzodioxol-5-yl)-3-[(2-chlorophenyl)methyl]urea (PubChem CID 35524616) has the molecular formula C15H13ClN2O3 and a molecular weight of 304.73 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-3-[(2-chlorophenyl)methyl]urea.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-3-[(2-chlorophenyl)methyl]urea
PubChem CID35524616
Molecular FormulaC15H13ClN2O3
Molecular Weight304.73 g/mol
Exact Mass304.06
IUPAC Name1-(1,3-benzodioxol-5-yl)-3-[(2-chlorophenyl)methyl]urea
SMILESO=C(NCc1ccccc1Cl)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C15H13ClN2O3/c16-12-4-2-1-3-10(12)8-17-15(19)18-11-5-6-13-14(7-11)21-9-20-13/h1-7H,8-9H2,(H2,17,18,19)
InChIKeyCDJHQTYVVSALCV-UHFFFAOYSA-N
XLogP3.39
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.73
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,3-benzodioxol-5-yl)-3-[(2-bromophenyl)methyl]urea
CID 1245708
1-(1,3-benzodioxol-5-yl)-3-(thiophen-2-ylmethyl)urea
CID 970506
1-[(2-chlorophenyl)methyl]-3-(3,4-dimethylphenyl)urea
CID 47192222
1-(1,3-benzodioxol-5-ylmethyl)-3-(3-chloro-4-methylphenyl)urea
CID 51168538
1-(3-chlorophenyl)-3-[(2-chlorophenyl)methyl]urea
CID 727865
1-(1,3-benzodioxol-5-yl)-3-[2-(2,4-dichlorophenyl)ethyl]urea
CID 110372008
N-[(2-chlorophenyl)methyl]-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propanamide
CID 109021441
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-[(2-chlorophenyl)methyl]-methylazanium
CID 9057833
1-(1,3-benzodioxol-5-yl)-3-propylurea
CID 58748931
1-(1,3-benzodioxol-5-yl)-3-[1-(2-chlorophenyl)ethyl]urea
CID 17182509
1-(1,3-benzodioxol-5-yl)-3-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]urea
CID 71782217
1-(1,3-benzodioxol-5-yl)-3-(cyclopropylmethyl)urea
CID 47152145

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-3-[(2-chlorophenyl)methyl]urea?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-3-[(2-chlorophenyl)methyl]urea (CID 35524616) is 1-(1,3-benzodioxol-5-yl)-3-[(2-chlorophenyl)methyl]urea.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-3-[(2-chlorophenyl)methyl]urea?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-3-[(2-chlorophenyl)methyl]urea is O=C(NCc1ccccc1Cl)Nc1ccc2c(c1)OCO2.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-3-[(2-chlorophenyl)methyl]urea?
The InChIKey is CDJHQTYVVSALCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O3/c16-12-4-2-1-3-10(12)8-17-15(19)18-11-5-6-13-14(7-11)21-9-20-13/h1-7H,8-9H2,(H2,17,18,19).
What are the key properties of 1-(1,3-benzodioxol-5-yl)-3-[(2-chlorophenyl)methyl]urea?
1-(1,3-benzodioxol-5-yl)-3-[(2-chlorophenyl)methyl]urea has a molecular weight of 304.73 g/mol, XLogP of 3.39, 3 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-chlorophenyl)methyl]urea is sourced from PubChem (CID 35524616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).