(2R)-2-amino-N-[2-(2,3-difluorophenyl)ethyl]-N-(2,2,2-trifluoroethyl)butanamide

C14H17F5N2O — CID 70894702

IUPAC(2R)-2-amino-N-[2-(2,3-difluorophenyl)ethyl]-N-(2,2,2-trifluoroethyl)butanamide
SMILESCC[C@@H](N)C(=O)N(CCc1cccc(F)c1F)CC(F)(F)F
InChIInChI=1S/C14H17F5N2O/c1-2-11(20)13(22)21(8-14(17,18)19)7-6-9-4-3-5-10(15)12(9)16/h3-5,11H,2,6-8,20H2,1H3/t11-/m1/s1
InChIKeyIVYBLGKARAJURS-LLVKDONJSA-N
MW324.29 g/mol
LogP2.64
Rot. Bonds6

About (2R)-2-amino-N-[2-(2,3-difluorophenyl)ethyl]-N-(2,2,2-trifluoroethyl)butanamide

(2R)-2-amino-N-[2-(2,3-difluorophenyl)ethyl]-N-(2,2,2-trifluoroethyl)butanamide (PubChem CID 70894702) has the molecular formula C14H17F5N2O and a molecular weight of 324.29 g/mol. Its IUPAC name is (2R)-2-amino-N-[2-(2,3-difluorophenyl)ethyl]-N-(2,2,2-trifluoroethyl)butanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[2-(2,3-difluorophenyl)ethyl]-N-(2,2,2-trifluoroethyl)butanamide
PubChem CID70894702
Molecular FormulaC14H17F5N2O
Molecular Weight324.29 g/mol
Exact Mass324.13
IUPAC Name(2R)-2-amino-N-[2-(2,3-difluorophenyl)ethyl]-N-(2,2,2-trifluoroethyl)butanamide
SMILESCC[C@@H](N)C(=O)N(CCc1cccc(F)c1F)CC(F)(F)F
InChIInChI=1S/C14H17F5N2O/c1-2-11(20)13(22)21(8-14(17,18)19)7-6-9-4-3-5-10(15)12(9)16/h3-5,11H,2,6-8,20H2,1H3/t11-/m1/s1
InChIKeyIVYBLGKARAJURS-LLVKDONJSA-N
XLogP2.64
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.29
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[2-(2,3-difluorophenyl)ethyl]-N-(2,2,2-trifluoroethyl)butanamide?
The IUPAC name of (2R)-2-amino-N-[2-(2,3-difluorophenyl)ethyl]-N-(2,2,2-trifluoroethyl)butanamide (CID 70894702) is (2R)-2-amino-N-[2-(2,3-difluorophenyl)ethyl]-N-(2,2,2-trifluoroethyl)butanamide.
What is the SMILES notation for (2R)-2-amino-N-[2-(2,3-difluorophenyl)ethyl]-N-(2,2,2-trifluoroethyl)butanamide?
The canonical SMILES for (2R)-2-amino-N-[2-(2,3-difluorophenyl)ethyl]-N-(2,2,2-trifluoroethyl)butanamide is CC[C@@H](N)C(=O)N(CCc1cccc(F)c1F)CC(F)(F)F.
What is the InChIKey of (2R)-2-amino-N-[2-(2,3-difluorophenyl)ethyl]-N-(2,2,2-trifluoroethyl)butanamide?
The InChIKey is IVYBLGKARAJURS-LLVKDONJSA-N. The full InChI is InChI=1S/C14H17F5N2O/c1-2-11(20)13(22)21(8-14(17,18)19)7-6-9-4-3-5-10(15)12(9)16/h3-5,11H,2,6-8,20H2,1H3/t11-/m1/s1.
What are the key properties of (2R)-2-amino-N-[2-(2,3-difluorophenyl)ethyl]-N-(2,2,2-trifluoroethyl)butanamide?
(2R)-2-amino-N-[2-(2,3-difluorophenyl)ethyl]-N-(2,2,2-trifluoroethyl)butanamide has a molecular weight of 324.29 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[2-(2,3-difluorophenyl)ethyl]-N-(2,2,2-trifluoroethyl)butanamide is sourced from PubChem (CID 70894702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).