2-[[1-(4-chlorophenyl)-3,3,3-trifluoropropyl]amino]-N,N-dimethylacetamide

C13H16ClF3N2O — CID 75442991

IUPAC2-[[1-(4-chlorophenyl)-3,3,3-trifluoropropyl]amino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CNC(CC(F)(F)F)c1ccc(Cl)cc1
InChIInChI=1S/C13H16ClF3N2O/c1-19(2)12(20)8-18-11(7-13(15,16)17)9-3-5-10(14)6-4-9/h3-6,11,18H,7-8H2,1-2H3
InChIKeyIMWBGFPIFATMSG-UHFFFAOYSA-N
MW308.73 g/mol
LogP3.01
Rot. Bonds5

About 2-[[1-(4-chlorophenyl)-3,3,3-trifluoropropyl]amino]-N,N-dimethylacetamide

2-[[1-(4-chlorophenyl)-3,3,3-trifluoropropyl]amino]-N,N-dimethylacetamide (PubChem CID 75442991) has the molecular formula C13H16ClF3N2O and a molecular weight of 308.73 g/mol. Its IUPAC name is 2-[[1-(4-chlorophenyl)-3,3,3-trifluoropropyl]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[1-(4-chlorophenyl)-3,3,3-trifluoropropyl]amino]-N,N-dimethylacetamide
PubChem CID75442991
Molecular FormulaC13H16ClF3N2O
Molecular Weight308.73 g/mol
Exact Mass308.09
IUPAC Name2-[[1-(4-chlorophenyl)-3,3,3-trifluoropropyl]amino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CNC(CC(F)(F)F)c1ccc(Cl)cc1
InChIInChI=1S/C13H16ClF3N2O/c1-19(2)12(20)8-18-11(7-13(15,16)17)9-3-5-10(14)6-4-9/h3-6,11,18H,7-8H2,1-2H3
InChIKeyIMWBGFPIFATMSG-UHFFFAOYSA-N
XLogP3.01
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.73
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-chlorophenyl)-3,3,3-trifluoropropyl]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[1-(4-chlorophenyl)-3,3,3-trifluoropropyl]amino]-N,N-dimethylacetamide (CID 75442991) is 2-[[1-(4-chlorophenyl)-3,3,3-trifluoropropyl]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[1-(4-chlorophenyl)-3,3,3-trifluoropropyl]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[1-(4-chlorophenyl)-3,3,3-trifluoropropyl]amino]-N,N-dimethylacetamide is CN(C)C(=O)CNC(CC(F)(F)F)c1ccc(Cl)cc1.
What is the InChIKey of 2-[[1-(4-chlorophenyl)-3,3,3-trifluoropropyl]amino]-N,N-dimethylacetamide?
The InChIKey is IMWBGFPIFATMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClF3N2O/c1-19(2)12(20)8-18-11(7-13(15,16)17)9-3-5-10(14)6-4-9/h3-6,11,18H,7-8H2,1-2H3.
What are the key properties of 2-[[1-(4-chlorophenyl)-3,3,3-trifluoropropyl]amino]-N,N-dimethylacetamide?
2-[[1-(4-chlorophenyl)-3,3,3-trifluoropropyl]amino]-N,N-dimethylacetamide has a molecular weight of 308.73 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-chlorophenyl)-3,3,3-trifluoropropyl]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 75442991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).