N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-(trifluoromethyl)benzamide

C19H20ClF3N2O — CID 11589093

IUPACN-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-(trifluoromethyl)benzamide
SMILESCN(C)CCC(NC(=O)c1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H20ClF3N2O/c1-25(2)12-11-17(13-5-9-16(20)10-6-13)24-18(26)14-3-7-15(8-4-14)19(21,22)23/h3-10,17H,11-12H2,1-2H3,(H,24,26)
InChIKeyUNTOQCADJRJIBS-UHFFFAOYSA-N
MW384.83 g/mol
LogP4.78
Rot. Bonds6

About N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-(trifluoromethyl)benzamide

N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-(trifluoromethyl)benzamide (PubChem CID 11589093) has the molecular formula C19H20ClF3N2O and a molecular weight of 384.83 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-(trifluoromethyl)benzamide
PubChem CID11589093
Molecular FormulaC19H20ClF3N2O
Molecular Weight384.83 g/mol
Exact Mass384.12
IUPAC NameN-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-(trifluoromethyl)benzamide
SMILESCN(C)CCC(NC(=O)c1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H20ClF3N2O/c1-25(2)12-11-17(13-5-9-16(20)10-6-13)24-18(26)14-3-7-15(8-4-14)19(21,22)23/h3-10,17H,11-12H2,1-2H3,(H,24,26)
InChIKeyUNTOQCADJRJIBS-UHFFFAOYSA-N
XLogP4.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.83
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-(trifluoromethyl)benzamide (CID 11589093) is N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-(trifluoromethyl)benzamide is CN(C)CCC(NC(=O)c1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-(trifluoromethyl)benzamide?
The InChIKey is UNTOQCADJRJIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClF3N2O/c1-25(2)12-11-17(13-5-9-16(20)10-6-13)24-18(26)14-3-7-15(8-4-14)19(21,22)23/h3-10,17H,11-12H2,1-2H3,(H,24,26).
What are the key properties of N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-(trifluoromethyl)benzamide?
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-(trifluoromethyl)benzamide has a molecular weight of 384.83 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 11589093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).