1-(2,6-dichlorophenyl)-3-[4-[2-(diethylamino)ethoxy]phenyl]urea

C19H23Cl2N3O2 — CID 71625599

IUPAC1-(2,6-dichlorophenyl)-3-[4-[2-(diethylamino)ethoxy]phenyl]urea
SMILESCCN(CC)CCOc1ccc(NC(=O)Nc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C19H23Cl2N3O2/c1-3-24(4-2)12-13-26-15-10-8-14(9-11-15)22-19(25)23-18-16(20)6-5-7-17(18)21/h5-11H,3-4,12-13H2,1-2H3,(H2,22,23,25)
InChIKeyTVTYDTBKENMFQM-UHFFFAOYSA-N
MW396.32 g/mol
LogP5.36
Rot. Bonds8

About 1-(2,6-dichlorophenyl)-3-[4-[2-(diethylamino)ethoxy]phenyl]urea

1-(2,6-dichlorophenyl)-3-[4-[2-(diethylamino)ethoxy]phenyl]urea (PubChem CID 71625599) has the molecular formula C19H23Cl2N3O2 and a molecular weight of 396.32 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-3-[4-[2-(diethylamino)ethoxy]phenyl]urea.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-3-[4-[2-(diethylamino)ethoxy]phenyl]urea
PubChem CID71625599
Molecular FormulaC19H23Cl2N3O2
Molecular Weight396.32 g/mol
Exact Mass395.12
IUPAC Name1-(2,6-dichlorophenyl)-3-[4-[2-(diethylamino)ethoxy]phenyl]urea
SMILESCCN(CC)CCOc1ccc(NC(=O)Nc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C19H23Cl2N3O2/c1-3-24(4-2)12-13-26-15-10-8-14(9-11-15)22-19(25)23-18-16(20)6-5-7-17(18)21/h5-11H,3-4,12-13H2,1-2H3,(H2,22,23,25)
InChIKeyTVTYDTBKENMFQM-UHFFFAOYSA-N
XLogP5.36
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.32
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-3-[4-[2-(diethylamino)ethoxy]phenyl]urea?
The IUPAC name of 1-(2,6-dichlorophenyl)-3-[4-[2-(diethylamino)ethoxy]phenyl]urea (CID 71625599) is 1-(2,6-dichlorophenyl)-3-[4-[2-(diethylamino)ethoxy]phenyl]urea.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-3-[4-[2-(diethylamino)ethoxy]phenyl]urea?
The canonical SMILES for 1-(2,6-dichlorophenyl)-3-[4-[2-(diethylamino)ethoxy]phenyl]urea is CCN(CC)CCOc1ccc(NC(=O)Nc2c(Cl)cccc2Cl)cc1.
What is the InChIKey of 1-(2,6-dichlorophenyl)-3-[4-[2-(diethylamino)ethoxy]phenyl]urea?
The InChIKey is TVTYDTBKENMFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23Cl2N3O2/c1-3-24(4-2)12-13-26-15-10-8-14(9-11-15)22-19(25)23-18-16(20)6-5-7-17(18)21/h5-11H,3-4,12-13H2,1-2H3,(H2,22,23,25).
What are the key properties of 1-(2,6-dichlorophenyl)-3-[4-[2-(diethylamino)ethoxy]phenyl]urea?
1-(2,6-dichlorophenyl)-3-[4-[2-(diethylamino)ethoxy]phenyl]urea has a molecular weight of 396.32 g/mol, XLogP of 5.36, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-3-[4-[2-(diethylamino)ethoxy]phenyl]urea is sourced from PubChem (CID 71625599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).