N-[3-[2-(dipropylamino)ethyl]phenyl]-2,2,2-trifluoroacetamide

C16H23F3N2O — CID 14566726

IUPACN-[3-[2-(dipropylamino)ethyl]phenyl]-2,2,2-trifluoroacetamide
SMILESCCCN(CCC)CCc1cccc(NC(=O)C(F)(F)F)c1
InChIInChI=1S/C16H23F3N2O/c1-3-9-21(10-4-2)11-8-13-6-5-7-14(12-13)20-15(22)16(17,18)19/h5-7,12H,3-4,8-11H2,1-2H3,(H,20,22)
InChIKeyNDTLBCCWEVTFIE-UHFFFAOYSA-N
MW316.37 g/mol
LogP3.85
Rot. Bonds8

About N-[3-[2-(dipropylamino)ethyl]phenyl]-2,2,2-trifluoroacetamide

N-[3-[2-(dipropylamino)ethyl]phenyl]-2,2,2-trifluoroacetamide (PubChem CID 14566726) has the molecular formula C16H23F3N2O and a molecular weight of 316.37 g/mol. Its IUPAC name is N-[3-[2-(dipropylamino)ethyl]phenyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[3-[2-(dipropylamino)ethyl]phenyl]-2,2,2-trifluoroacetamide
PubChem CID14566726
Molecular FormulaC16H23F3N2O
Molecular Weight316.37 g/mol
Exact Mass316.18
IUPAC NameN-[3-[2-(dipropylamino)ethyl]phenyl]-2,2,2-trifluoroacetamide
SMILESCCCN(CCC)CCc1cccc(NC(=O)C(F)(F)F)c1
InChIInChI=1S/C16H23F3N2O/c1-3-9-21(10-4-2)11-8-13-6-5-7-14(12-13)20-15(22)16(17,18)19/h5-7,12H,3-4,8-11H2,1-2H3,(H,20,22)
InChIKeyNDTLBCCWEVTFIE-UHFFFAOYSA-N
XLogP3.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(dipropylamino)ethyl]phenyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[3-[2-(dipropylamino)ethyl]phenyl]-2,2,2-trifluoroacetamide (CID 14566726) is N-[3-[2-(dipropylamino)ethyl]phenyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[3-[2-(dipropylamino)ethyl]phenyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[3-[2-(dipropylamino)ethyl]phenyl]-2,2,2-trifluoroacetamide is CCCN(CCC)CCc1cccc(NC(=O)C(F)(F)F)c1.
What is the InChIKey of N-[3-[2-(dipropylamino)ethyl]phenyl]-2,2,2-trifluoroacetamide?
The InChIKey is NDTLBCCWEVTFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N2O/c1-3-9-21(10-4-2)11-8-13-6-5-7-14(12-13)20-15(22)16(17,18)19/h5-7,12H,3-4,8-11H2,1-2H3,(H,20,22).
What are the key properties of N-[3-[2-(dipropylamino)ethyl]phenyl]-2,2,2-trifluoroacetamide?
N-[3-[2-(dipropylamino)ethyl]phenyl]-2,2,2-trifluoroacetamide has a molecular weight of 316.37 g/mol, XLogP of 3.85, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(dipropylamino)ethyl]phenyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 14566726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).