1-[2-(2,4-dichlorophenyl)ethyl]-3-(4-methoxyphenyl)urea

C16H16Cl2N2O2 — CID 108991031

IUPAC1-[2-(2,4-dichlorophenyl)ethyl]-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)NCCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C16H16Cl2N2O2/c1-22-14-6-4-13(5-7-14)20-16(21)19-9-8-11-2-3-12(17)10-15(11)18/h2-7,10H,8-9H2,1H3,(H2,19,20,21)
InChIKeyMWZDAGHOSLUMCJ-UHFFFAOYSA-N
MW339.22 g/mol
LogP4.37
Rot. Bonds5

About 1-[2-(2,4-dichlorophenyl)ethyl]-3-(4-methoxyphenyl)urea

1-[2-(2,4-dichlorophenyl)ethyl]-3-(4-methoxyphenyl)urea (PubChem CID 108991031) has the molecular formula C16H16Cl2N2O2 and a molecular weight of 339.22 g/mol. Its IUPAC name is 1-[2-(2,4-dichlorophenyl)ethyl]-3-(4-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[2-(2,4-dichlorophenyl)ethyl]-3-(4-methoxyphenyl)urea
PubChem CID108991031
Molecular FormulaC16H16Cl2N2O2
Molecular Weight339.22 g/mol
Exact Mass338.06
IUPAC Name1-[2-(2,4-dichlorophenyl)ethyl]-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)NCCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C16H16Cl2N2O2/c1-22-14-6-4-13(5-7-14)20-16(21)19-9-8-11-2-3-12(17)10-15(11)18/h2-7,10H,8-9H2,1H3,(H2,19,20,21)
InChIKeyMWZDAGHOSLUMCJ-UHFFFAOYSA-N
XLogP4.37
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.22
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-3-[2-(2-chloro-4-methoxyphenyl)ethyl]urea
CID 115192925
N-[3-[2-(2,4-dichlorophenyl)ethylcarbamoylamino]phenyl]acetamide
CID 108991040
1-(4-chlorophenyl)-3-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]urea
CID 110324234
4-acetamido-N-[2-(2-chloro-4-methoxyphenyl)ethyl]benzamide
CID 110795800
1-(4-methoxyphenyl)-3-[2-(3,4,5-trihydroxyphenyl)ethyl]urea
CID 163876948
1-[2-(2,4-dichlorophenyl)ethyl]-3-[4-(2-methyl-4-pyridinyl)phenyl]urea
CID 67053167
N-[2-(2,4-dichlorophenyl)ethyl]-N'-(2,5-dimethoxyphenyl)oxamide
CID 108986643
N-[2-(2,4-dichlorophenyl)ethyl]-N'-(2,4-dimethoxyphenyl)oxamide
CID 108986644
1-[2-(2,4-dichlorophenyl)ethyl]-3-(3-methoxyphenyl)thiourea
CID 8615071
2-(2-chloro-4-methoxyphenyl)ethylcarbamic acid
CID 115171143
1-(3-chloro-4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108901858
1-(1,3-benzodioxol-5-yl)-3-[2-(2,4-dichlorophenyl)ethyl]urea
CID 110372008

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dichlorophenyl)ethyl]-3-(4-methoxyphenyl)urea?
The IUPAC name of 1-[2-(2,4-dichlorophenyl)ethyl]-3-(4-methoxyphenyl)urea (CID 108991031) is 1-[2-(2,4-dichlorophenyl)ethyl]-3-(4-methoxyphenyl)urea.
What is the SMILES notation for 1-[2-(2,4-dichlorophenyl)ethyl]-3-(4-methoxyphenyl)urea?
The canonical SMILES for 1-[2-(2,4-dichlorophenyl)ethyl]-3-(4-methoxyphenyl)urea is COc1ccc(NC(=O)NCCc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 1-[2-(2,4-dichlorophenyl)ethyl]-3-(4-methoxyphenyl)urea?
The InChIKey is MWZDAGHOSLUMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O2/c1-22-14-6-4-13(5-7-14)20-16(21)19-9-8-11-2-3-12(17)10-15(11)18/h2-7,10H,8-9H2,1H3,(H2,19,20,21).
What are the key properties of 1-[2-(2,4-dichlorophenyl)ethyl]-3-(4-methoxyphenyl)urea?
1-[2-(2,4-dichlorophenyl)ethyl]-3-(4-methoxyphenyl)urea has a molecular weight of 339.22 g/mol, XLogP of 4.37, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dichlorophenyl)ethyl]-3-(4-methoxyphenyl)urea is sourced from PubChem (CID 108991031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).