1-[2-(3-chlorophenyl)ethyl]-3-(2,5-dimethoxyphenyl)urea

C17H19ClN2O3 — CID 971380

IUPAC1-[2-(3-chlorophenyl)ethyl]-3-(2,5-dimethoxyphenyl)urea
SMILESCOc1ccc(OC)c(NC(=O)NCCc2cccc(Cl)c2)c1
InChIInChI=1S/C17H19ClN2O3/c1-22-14-6-7-16(23-2)15(11-14)20-17(21)19-9-8-12-4-3-5-13(18)10-12/h3-7,10-11H,8-9H2,1-2H3,(H2,19,20,21)
InChIKeyYJXLAWKGAYMKCK-UHFFFAOYSA-N
MW334.80 g/mol
LogP3.72
Rot. Bonds6

About 1-[2-(3-chlorophenyl)ethyl]-3-(2,5-dimethoxyphenyl)urea

1-[2-(3-chlorophenyl)ethyl]-3-(2,5-dimethoxyphenyl)urea (PubChem CID 971380) has the molecular formula C17H19ClN2O3 and a molecular weight of 334.80 g/mol. Its IUPAC name is 1-[2-(3-chlorophenyl)ethyl]-3-(2,5-dimethoxyphenyl)urea.

Molecular Properties

Compound Name1-[2-(3-chlorophenyl)ethyl]-3-(2,5-dimethoxyphenyl)urea
PubChem CID971380
Molecular FormulaC17H19ClN2O3
Molecular Weight334.80 g/mol
Exact Mass334.11
IUPAC Name1-[2-(3-chlorophenyl)ethyl]-3-(2,5-dimethoxyphenyl)urea
SMILESCOc1ccc(OC)c(NC(=O)NCCc2cccc(Cl)c2)c1
InChIInChI=1S/C17H19ClN2O3/c1-22-14-6-7-16(23-2)15(11-14)20-17(21)19-9-8-12-4-3-5-13(18)10-12/h3-7,10-11H,8-9H2,1-2H3,(H2,19,20,21)
InChIKeyYJXLAWKGAYMKCK-UHFFFAOYSA-N
XLogP3.72
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.80
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorophenyl)ethyl]-3-(2,5-dimethoxyphenyl)urea?
The IUPAC name of 1-[2-(3-chlorophenyl)ethyl]-3-(2,5-dimethoxyphenyl)urea (CID 971380) is 1-[2-(3-chlorophenyl)ethyl]-3-(2,5-dimethoxyphenyl)urea.
What is the SMILES notation for 1-[2-(3-chlorophenyl)ethyl]-3-(2,5-dimethoxyphenyl)urea?
The canonical SMILES for 1-[2-(3-chlorophenyl)ethyl]-3-(2,5-dimethoxyphenyl)urea is COc1ccc(OC)c(NC(=O)NCCc2cccc(Cl)c2)c1.
What is the InChIKey of 1-[2-(3-chlorophenyl)ethyl]-3-(2,5-dimethoxyphenyl)urea?
The InChIKey is YJXLAWKGAYMKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3/c1-22-14-6-7-16(23-2)15(11-14)20-17(21)19-9-8-12-4-3-5-13(18)10-12/h3-7,10-11H,8-9H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-[2-(3-chlorophenyl)ethyl]-3-(2,5-dimethoxyphenyl)urea?
1-[2-(3-chlorophenyl)ethyl]-3-(2,5-dimethoxyphenyl)urea has a molecular weight of 334.80 g/mol, XLogP of 3.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chlorophenyl)ethyl]-3-(2,5-dimethoxyphenyl)urea is sourced from PubChem (CID 971380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).