1-(4-chlorophenyl)-3-[4-[2-(dimethylamino)ethoxy]phenyl]urea

C17H20ClN3O2 — CID 71625482

IUPAC1-(4-chlorophenyl)-3-[4-[2-(dimethylamino)ethoxy]phenyl]urea
SMILESCN(C)CCOc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H20ClN3O2/c1-21(2)11-12-23-16-9-7-15(8-10-16)20-17(22)19-14-5-3-13(18)4-6-14/h3-10H,11-12H2,1-2H3,(H2,19,20,22)
InChIKeyZGKMHAKPYGJQLQ-UHFFFAOYSA-N
MW333.82 g/mol
LogP3.92
Rot. Bonds6

About 1-(4-chlorophenyl)-3-[4-[2-(dimethylamino)ethoxy]phenyl]urea

1-(4-chlorophenyl)-3-[4-[2-(dimethylamino)ethoxy]phenyl]urea (PubChem CID 71625482) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[4-[2-(dimethylamino)ethoxy]phenyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[4-[2-(dimethylamino)ethoxy]phenyl]urea
PubChem CID71625482
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC Name1-(4-chlorophenyl)-3-[4-[2-(dimethylamino)ethoxy]phenyl]urea
SMILESCN(C)CCOc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H20ClN3O2/c1-21(2)11-12-23-16-9-7-15(8-10-16)20-17(22)19-14-5-3-13(18)4-6-14/h3-10H,11-12H2,1-2H3,(H2,19,20,22)
InChIKeyZGKMHAKPYGJQLQ-UHFFFAOYSA-N
XLogP3.92
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[4-[2-(dimethylamino)ethoxy]phenyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[4-[2-(dimethylamino)ethoxy]phenyl]urea (CID 71625482) is 1-(4-chlorophenyl)-3-[4-[2-(dimethylamino)ethoxy]phenyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[4-[2-(dimethylamino)ethoxy]phenyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[4-[2-(dimethylamino)ethoxy]phenyl]urea is CN(C)CCOc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[4-[2-(dimethylamino)ethoxy]phenyl]urea?
The InChIKey is ZGKMHAKPYGJQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2/c1-21(2)11-12-23-16-9-7-15(8-10-16)20-17(22)19-14-5-3-13(18)4-6-14/h3-10H,11-12H2,1-2H3,(H2,19,20,22).
What are the key properties of 1-(4-chlorophenyl)-3-[4-[2-(dimethylamino)ethoxy]phenyl]urea?
1-(4-chlorophenyl)-3-[4-[2-(dimethylamino)ethoxy]phenyl]urea has a molecular weight of 333.82 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[4-[2-(dimethylamino)ethoxy]phenyl]urea is sourced from PubChem (CID 71625482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).