1-[2-(2-chlorophenoxy)ethyl]-3-[2-(4-chlorophenyl)ethyl]-1-methylurea

C18H20Cl2N2O2 — CID 27532112

IUPAC1-[2-(2-chlorophenoxy)ethyl]-3-[2-(4-chlorophenyl)ethyl]-1-methylurea
SMILESCN(CCOc1ccccc1Cl)C(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C18H20Cl2N2O2/c1-22(12-13-24-17-5-3-2-4-16(17)20)18(23)21-11-10-14-6-8-15(19)9-7-14/h2-9H,10-13H2,1H3,(H,21,23)
InChIKeyVAIXBGQSTSWDNC-UHFFFAOYSA-N
MW367.28 g/mol
LogP4.26
Rot. Bonds7

About 1-[2-(2-chlorophenoxy)ethyl]-3-[2-(4-chlorophenyl)ethyl]-1-methylurea

1-[2-(2-chlorophenoxy)ethyl]-3-[2-(4-chlorophenyl)ethyl]-1-methylurea (PubChem CID 27532112) has the molecular formula C18H20Cl2N2O2 and a molecular weight of 367.28 g/mol. Its IUPAC name is 1-[2-(2-chlorophenoxy)ethyl]-3-[2-(4-chlorophenyl)ethyl]-1-methylurea.

Molecular Properties

Compound Name1-[2-(2-chlorophenoxy)ethyl]-3-[2-(4-chlorophenyl)ethyl]-1-methylurea
PubChem CID27532112
Molecular FormulaC18H20Cl2N2O2
Molecular Weight367.28 g/mol
Exact Mass366.09
IUPAC Name1-[2-(2-chlorophenoxy)ethyl]-3-[2-(4-chlorophenyl)ethyl]-1-methylurea
SMILESCN(CCOc1ccccc1Cl)C(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C18H20Cl2N2O2/c1-22(12-13-24-17-5-3-2-4-16(17)20)18(23)21-11-10-14-6-8-15(19)9-7-14/h2-9H,10-13H2,1H3,(H,21,23)
InChIKeyVAIXBGQSTSWDNC-UHFFFAOYSA-N
XLogP4.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.28
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 55489470
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CID 103604079
3-(2-chlorophenoxy)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 39088895
5-chloro-N-[2-(2-chlorophenoxy)ethyl]-2-hydroxy-N-methylbenzamide
CID 18119348
1-[(4-chlorophenyl)methyl]-3-[2-(4-fluorophenyl)ethyl]-1-methylurea
CID 51274165
1-[2-(4-chlorophenyl)ethyl]-3-[2-(2-ethylphenoxy)ethyl]urea
CID 112971684
2-chloro-N-[2-[2-(2-chlorophenoxy)ethyl-methylamino]-2-oxoethyl]benzamide
CID 24551197
3-[2-(4-chlorophenyl)ethyl]-1,1-bis(2-methoxyethyl)urea
CID 108891943
1-[3-(2-chlorophenoxy)propyl]-3-[(4-chlorophenyl)methyl]urea
CID 108883382
N-[2-(2-chlorophenoxy)ethyl]-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115949715
(2S)-2-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methylpropanamide
CID 93368333
4-chloro-N-[2-(2-chlorophenoxy)ethyl]-N-methylbutanamide
CID 63307914

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenoxy)ethyl]-3-[2-(4-chlorophenyl)ethyl]-1-methylurea?
The IUPAC name of 1-[2-(2-chlorophenoxy)ethyl]-3-[2-(4-chlorophenyl)ethyl]-1-methylurea (CID 27532112) is 1-[2-(2-chlorophenoxy)ethyl]-3-[2-(4-chlorophenyl)ethyl]-1-methylurea.
What is the SMILES notation for 1-[2-(2-chlorophenoxy)ethyl]-3-[2-(4-chlorophenyl)ethyl]-1-methylurea?
The canonical SMILES for 1-[2-(2-chlorophenoxy)ethyl]-3-[2-(4-chlorophenyl)ethyl]-1-methylurea is CN(CCOc1ccccc1Cl)C(=O)NCCc1ccc(Cl)cc1.
What is the InChIKey of 1-[2-(2-chlorophenoxy)ethyl]-3-[2-(4-chlorophenyl)ethyl]-1-methylurea?
The InChIKey is VAIXBGQSTSWDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O2/c1-22(12-13-24-17-5-3-2-4-16(17)20)18(23)21-11-10-14-6-8-15(19)9-7-14/h2-9H,10-13H2,1H3,(H,21,23).
What are the key properties of 1-[2-(2-chlorophenoxy)ethyl]-3-[2-(4-chlorophenyl)ethyl]-1-methylurea?
1-[2-(2-chlorophenoxy)ethyl]-3-[2-(4-chlorophenyl)ethyl]-1-methylurea has a molecular weight of 367.28 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenoxy)ethyl]-3-[2-(4-chlorophenyl)ethyl]-1-methylurea is sourced from PubChem (CID 27532112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).