N-[2-(3,4-dichlorophenyl)ethyl]pentanamide;2,2,2-trifluoroacetic acid

C15H18Cl2F3NO3 — CID 158457094

IUPACN-[2-(3,4-dichlorophenyl)ethyl]pentanamide;2,2,2-trifluoroacetic acid
SMILESCCCCC(=O)NCCc1ccc(Cl)c(Cl)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C13H17Cl2NO.C2HF3O2/c1-2-3-4-13(17)16-8-7-10-5-6-11(14)12(15)9-10;3-2(4,5)1(6)7/h5-6,9H,2-4,7-8H2,1H3,(H,16,17);(H,6,7)
InChIKeyHESARFSPBYOLJJ-UHFFFAOYSA-N
MW388.21 g/mol
LogP4.48
Rot. Bonds6

About N-[2-(3,4-dichlorophenyl)ethyl]pentanamide;2,2,2-trifluoroacetic acid

N-[2-(3,4-dichlorophenyl)ethyl]pentanamide;2,2,2-trifluoroacetic acid (PubChem CID 158457094) has the molecular formula C15H18Cl2F3NO3 and a molecular weight of 388.21 g/mol. Its IUPAC name is N-[2-(3,4-dichlorophenyl)ethyl]pentanamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[2-(3,4-dichlorophenyl)ethyl]pentanamide;2,2,2-trifluoroacetic acid
PubChem CID158457094
Molecular FormulaC15H18Cl2F3NO3
Molecular Weight388.21 g/mol
Exact Mass387.06
IUPAC NameN-[2-(3,4-dichlorophenyl)ethyl]pentanamide;2,2,2-trifluoroacetic acid
SMILESCCCCC(=O)NCCc1ccc(Cl)c(Cl)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C13H17Cl2NO.C2HF3O2/c1-2-3-4-13(17)16-8-7-10-5-6-11(14)12(15)9-10;3-2(4,5)1(6)7/h5-6,9H,2-4,7-8H2,1H3,(H,16,17);(H,6,7)
InChIKeyHESARFSPBYOLJJ-UHFFFAOYSA-N
XLogP4.48
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.21
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dichlorophenyl)ethyl]pentanamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[2-(3,4-dichlorophenyl)ethyl]pentanamide;2,2,2-trifluoroacetic acid (CID 158457094) is N-[2-(3,4-dichlorophenyl)ethyl]pentanamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[2-(3,4-dichlorophenyl)ethyl]pentanamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[2-(3,4-dichlorophenyl)ethyl]pentanamide;2,2,2-trifluoroacetic acid is CCCCC(=O)NCCc1ccc(Cl)c(Cl)c1.O=C(O)C(F)(F)F.
What is the InChIKey of N-[2-(3,4-dichlorophenyl)ethyl]pentanamide;2,2,2-trifluoroacetic acid?
The InChIKey is HESARFSPBYOLJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO.C2HF3O2/c1-2-3-4-13(17)16-8-7-10-5-6-11(14)12(15)9-10;3-2(4,5)1(6)7/h5-6,9H,2-4,7-8H2,1H3,(H,16,17);(H,6,7).
What are the key properties of N-[2-(3,4-dichlorophenyl)ethyl]pentanamide;2,2,2-trifluoroacetic acid?
N-[2-(3,4-dichlorophenyl)ethyl]pentanamide;2,2,2-trifluoroacetic acid has a molecular weight of 388.21 g/mol, XLogP of 4.48, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dichlorophenyl)ethyl]pentanamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 158457094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).