1-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-(4-phenylphenyl)urea

C24H26ClN3O — CID 11625650

IUPAC1-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-(4-phenylphenyl)urea
SMILESCN(C)CCC(NC(=O)Nc1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C24H26ClN3O/c1-28(2)17-16-23(20-8-12-21(25)13-9-20)27-24(29)26-22-14-10-19(11-15-22)18-6-4-3-5-7-18/h3-15,23H,16-17H2,1-2H3,(H2,26,27,29)
InChIKeyJXZAZINVSKOXDR-UHFFFAOYSA-N
MW407.95 g/mol
LogP5.82
Rot. Bonds7

About 1-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-(4-phenylphenyl)urea

1-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-(4-phenylphenyl)urea (PubChem CID 11625650) has the molecular formula C24H26ClN3O and a molecular weight of 407.95 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-(4-phenylphenyl)urea.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-(4-phenylphenyl)urea
PubChem CID11625650
Molecular FormulaC24H26ClN3O
Molecular Weight407.95 g/mol
Exact Mass407.18
IUPAC Name1-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-(4-phenylphenyl)urea
SMILESCN(C)CCC(NC(=O)Nc1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C24H26ClN3O/c1-28(2)17-16-23(20-8-12-21(25)13-9-20)27-24(29)26-22-14-10-19(11-15-22)18-6-4-3-5-7-18/h3-15,23H,16-17H2,1-2H3,(H2,26,27,29)
InChIKeyJXZAZINVSKOXDR-UHFFFAOYSA-N
XLogP5.82
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.95
LogP ≤ 55.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-(4-phenylphenyl)urea?
The IUPAC name of 1-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-(4-phenylphenyl)urea (CID 11625650) is 1-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-(4-phenylphenyl)urea.
What is the SMILES notation for 1-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-(4-phenylphenyl)urea?
The canonical SMILES for 1-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-(4-phenylphenyl)urea is CN(C)CCC(NC(=O)Nc1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 1-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-(4-phenylphenyl)urea?
The InChIKey is JXZAZINVSKOXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN3O/c1-28(2)17-16-23(20-8-12-21(25)13-9-20)27-24(29)26-22-14-10-19(11-15-22)18-6-4-3-5-7-18/h3-15,23H,16-17H2,1-2H3,(H2,26,27,29).
What are the key properties of 1-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-(4-phenylphenyl)urea?
1-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-(4-phenylphenyl)urea has a molecular weight of 407.95 g/mol, XLogP of 5.82, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-(4-phenylphenyl)urea is sourced from PubChem (CID 11625650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).