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

C19H21ClF3N3O — CID 11684574

IUPAC1-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-[4-(trifluoromethyl)phenyl]urea
SMILESCN(C)CCC(NC(=O)Nc1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H21ClF3N3O/c1-26(2)12-11-17(13-3-7-15(20)8-4-13)25-18(27)24-16-9-5-14(6-10-16)19(21,22)23/h3-10,17H,11-12H2,1-2H3,(H2,24,25,27)
InChIKeyDCVUYDAQCNKKHX-UHFFFAOYSA-N
MW399.84 g/mol
LogP5.17
Rot. Bonds6

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

1-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-[4-(trifluoromethyl)phenyl]urea (PubChem CID 11684574) has the molecular formula C19H21ClF3N3O and a molecular weight of 399.84 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-[4-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-[4-(trifluoromethyl)phenyl]urea
PubChem CID11684574
Molecular FormulaC19H21ClF3N3O
Molecular Weight399.84 g/mol
Exact Mass399.13
IUPAC Name1-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-[4-(trifluoromethyl)phenyl]urea
SMILESCN(C)CCC(NC(=O)Nc1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H21ClF3N3O/c1-26(2)12-11-17(13-3-7-15(20)8-4-13)25-18(27)24-16-9-5-14(6-10-16)19(21,22)23/h3-10,17H,11-12H2,1-2H3,(H2,24,25,27)
InChIKeyDCVUYDAQCNKKHX-UHFFFAOYSA-N
XLogP5.17
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.84
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-[4-(trifluoromethyl)phenyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-[4-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-[4-(trifluoromethyl)phenyl]urea (CID 11684574) is 1-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-[4-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-[4-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-[4-(trifluoromethyl)phenyl]urea is CN(C)CCC(NC(=O)Nc1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 1-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-[4-(trifluoromethyl)phenyl]urea?
The InChIKey is DCVUYDAQCNKKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClF3N3O/c1-26(2)12-11-17(13-3-7-15(20)8-4-13)25-18(27)24-16-9-5-14(6-10-16)19(21,22)23/h3-10,17H,11-12H2,1-2H3,(H2,24,25,27).
What are the key properties of 1-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-[4-(trifluoromethyl)phenyl]urea?
1-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-[4-(trifluoromethyl)phenyl]urea has a molecular weight of 399.84 g/mol, XLogP of 5.17, 6 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-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 11684574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).