N-[1-(3,4-difluorophenyl)ethyl]-2-methoxy-N,2-dimethylpropanamide

C14H19F2NO2 — CID 103028764

IUPACN-[1-(3,4-difluorophenyl)ethyl]-2-methoxy-N,2-dimethylpropanamide
SMILESCOC(C)(C)C(=O)N(C)C(C)c1ccc(F)c(F)c1
InChIInChI=1S/C14H19F2NO2/c1-9(10-6-7-11(15)12(16)8-10)17(4)13(18)14(2,3)19-5/h6-9H,1-5H3
InChIKeyWVQMHZKKUAQUEC-UHFFFAOYSA-N
MW271.31 g/mol
LogP2.91
Rot. Bonds4

About N-[1-(3,4-difluorophenyl)ethyl]-2-methoxy-N,2-dimethylpropanamide

N-[1-(3,4-difluorophenyl)ethyl]-2-methoxy-N,2-dimethylpropanamide (PubChem CID 103028764) has the molecular formula C14H19F2NO2 and a molecular weight of 271.31 g/mol. Its IUPAC name is N-[1-(3,4-difluorophenyl)ethyl]-2-methoxy-N,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[1-(3,4-difluorophenyl)ethyl]-2-methoxy-N,2-dimethylpropanamide
PubChem CID103028764
Molecular FormulaC14H19F2NO2
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC NameN-[1-(3,4-difluorophenyl)ethyl]-2-methoxy-N,2-dimethylpropanamide
SMILESCOC(C)(C)C(=O)N(C)C(C)c1ccc(F)c(F)c1
InChIInChI=1S/C14H19F2NO2/c1-9(10-6-7-11(15)12(16)8-10)17(4)13(18)14(2,3)19-5/h6-9H,1-5H3
InChIKeyWVQMHZKKUAQUEC-UHFFFAOYSA-N
XLogP2.91
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-2-methoxy-N,2-dimethylpropanamide?
The IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-2-methoxy-N,2-dimethylpropanamide (CID 103028764) is N-[1-(3,4-difluorophenyl)ethyl]-2-methoxy-N,2-dimethylpropanamide.
What is the SMILES notation for N-[1-(3,4-difluorophenyl)ethyl]-2-methoxy-N,2-dimethylpropanamide?
The canonical SMILES for N-[1-(3,4-difluorophenyl)ethyl]-2-methoxy-N,2-dimethylpropanamide is COC(C)(C)C(=O)N(C)C(C)c1ccc(F)c(F)c1.
What is the InChIKey of N-[1-(3,4-difluorophenyl)ethyl]-2-methoxy-N,2-dimethylpropanamide?
The InChIKey is WVQMHZKKUAQUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO2/c1-9(10-6-7-11(15)12(16)8-10)17(4)13(18)14(2,3)19-5/h6-9H,1-5H3.
What are the key properties of N-[1-(3,4-difluorophenyl)ethyl]-2-methoxy-N,2-dimethylpropanamide?
N-[1-(3,4-difluorophenyl)ethyl]-2-methoxy-N,2-dimethylpropanamide has a molecular weight of 271.31 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-difluorophenyl)ethyl]-2-methoxy-N,2-dimethylpropanamide is sourced from PubChem (CID 103028764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).