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

C19H20ClF3N2O2 — CID 11526048

IUPAC[1-(4-chlorophenyl)-3-(dimethylamino)propyl] N-[4-(trifluoromethyl)phenyl]carbamate
SMILESCN(C)CCC(OC(=O)Nc1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H20ClF3N2O2/c1-25(2)12-11-17(13-3-7-15(20)8-4-13)27-18(26)24-16-9-5-14(6-10-16)19(21,22)23/h3-10,17H,11-12H2,1-2H3,(H,24,26)
InChIKeyINJCGKXCJYIXOV-UHFFFAOYSA-N
MW400.83 g/mol
LogP5.60
Rot. Bonds6

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

[1-(4-chlorophenyl)-3-(dimethylamino)propyl] N-[4-(trifluoromethyl)phenyl]carbamate (PubChem CID 11526048) has the molecular formula C19H20ClF3N2O2 and a molecular weight of 400.83 g/mol. Its IUPAC name is [1-(4-chlorophenyl)-3-(dimethylamino)propyl] N-[4-(trifluoromethyl)phenyl]carbamate.

Molecular Properties

Compound Name[1-(4-chlorophenyl)-3-(dimethylamino)propyl] N-[4-(trifluoromethyl)phenyl]carbamate
PubChem CID11526048
Molecular FormulaC19H20ClF3N2O2
Molecular Weight400.83 g/mol
Exact Mass400.12
IUPAC Name[1-(4-chlorophenyl)-3-(dimethylamino)propyl] N-[4-(trifluoromethyl)phenyl]carbamate
SMILESCN(C)CCC(OC(=O)Nc1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H20ClF3N2O2/c1-25(2)12-11-17(13-3-7-15(20)8-4-13)27-18(26)24-16-9-5-14(6-10-16)19(21,22)23/h3-10,17H,11-12H2,1-2H3,(H,24,26)
InChIKeyINJCGKXCJYIXOV-UHFFFAOYSA-N
XLogP5.60
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.83
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)-3-(dimethylamino)propyl] N-[4-(trifluoromethyl)phenyl]carbamate?
The IUPAC name of [1-(4-chlorophenyl)-3-(dimethylamino)propyl] N-[4-(trifluoromethyl)phenyl]carbamate (CID 11526048) is [1-(4-chlorophenyl)-3-(dimethylamino)propyl] N-[4-(trifluoromethyl)phenyl]carbamate.
What is the SMILES notation for [1-(4-chlorophenyl)-3-(dimethylamino)propyl] N-[4-(trifluoromethyl)phenyl]carbamate?
The canonical SMILES for [1-(4-chlorophenyl)-3-(dimethylamino)propyl] N-[4-(trifluoromethyl)phenyl]carbamate is CN(C)CCC(OC(=O)Nc1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1.
What is the InChIKey of [1-(4-chlorophenyl)-3-(dimethylamino)propyl] N-[4-(trifluoromethyl)phenyl]carbamate?
The InChIKey is INJCGKXCJYIXOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClF3N2O2/c1-25(2)12-11-17(13-3-7-15(20)8-4-13)27-18(26)24-16-9-5-14(6-10-16)19(21,22)23/h3-10,17H,11-12H2,1-2H3,(H,24,26).
What are the key properties of [1-(4-chlorophenyl)-3-(dimethylamino)propyl] N-[4-(trifluoromethyl)phenyl]carbamate?
[1-(4-chlorophenyl)-3-(dimethylamino)propyl] N-[4-(trifluoromethyl)phenyl]carbamate has a molecular weight of 400.83 g/mol, XLogP of 5.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)-3-(dimethylamino)propyl] N-[4-(trifluoromethyl)phenyl]carbamate is sourced from PubChem (CID 11526048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).