N-butyl-2-(3,4-difluorophenoxy)-N-ethylacetamide

C14H19F2NO2 — CID 78814916

IUPACN-butyl-2-(3,4-difluorophenoxy)-N-ethylacetamide
SMILESCCCCN(CC)C(=O)COc1ccc(F)c(F)c1
InChIInChI=1S/C14H19F2NO2/c1-3-5-8-17(4-2)14(18)10-19-11-6-7-12(15)13(16)9-11/h6-7,9H,3-5,8,10H2,1-2H3
InChIKeyZHZDZIBDLVJTCO-UHFFFAOYSA-N
MW271.31 g/mol
LogP2.99
Rot. Bonds7

About N-butyl-2-(3,4-difluorophenoxy)-N-ethylacetamide

N-butyl-2-(3,4-difluorophenoxy)-N-ethylacetamide (PubChem CID 78814916) has the molecular formula C14H19F2NO2 and a molecular weight of 271.31 g/mol. Its IUPAC name is N-butyl-2-(3,4-difluorophenoxy)-N-ethylacetamide.

Molecular Properties

Compound NameN-butyl-2-(3,4-difluorophenoxy)-N-ethylacetamide
PubChem CID78814916
Molecular FormulaC14H19F2NO2
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC NameN-butyl-2-(3,4-difluorophenoxy)-N-ethylacetamide
SMILESCCCCN(CC)C(=O)COc1ccc(F)c(F)c1
InChIInChI=1S/C14H19F2NO2/c1-3-5-8-17(4-2)14(18)10-19-11-6-7-12(15)13(16)9-11/h6-7,9H,3-5,8,10H2,1-2H3
InChIKeyZHZDZIBDLVJTCO-UHFFFAOYSA-N
XLogP2.99
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-acetylphenoxy)-N-butyl-N-ethylacetamide
CID 78785120
N,N-dibutyl-2-phenoxyacetamide
CID 4074500
2-(4-aminophenoxy)-N-ethyl-N-propylacetamide
CID 61094181
N-(4-aminobutyl)-N-ethyl-2-phenoxyacetamide
CID 83969246
N-benzyl-2-(3-chloro-4-fluorophenoxy)-N-ethylacetamide
CID 112778759
N-butyl-N-ethyl-2-(2-methoxy-4-methylphenoxy)acetamide
CID 78785126
N-butyl-2-(4-iodophenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 55763631
2-(4-cyanophenoxy)-N-ethyl-N-(3-hydroxypropyl)acetamide
CID 115771645
2-(4-chlorophenoxy)-N-(3,4-difluorophenyl)-N-ethylacetamide
CID 55593364
N-(2-aminoethyl)-N-ethyl-2-(3-methoxyphenoxy)acetamide
CID 82354386
methyl 3-[ethyl-[2-(4-fluorophenoxy)acetyl]amino]propanoate
CID 61011300
N-butyl-2-ethoxy-N-ethylacetamide
CID 4277867

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(3,4-difluorophenoxy)-N-ethylacetamide?
The IUPAC name of N-butyl-2-(3,4-difluorophenoxy)-N-ethylacetamide (CID 78814916) is N-butyl-2-(3,4-difluorophenoxy)-N-ethylacetamide.
What is the SMILES notation for N-butyl-2-(3,4-difluorophenoxy)-N-ethylacetamide?
The canonical SMILES for N-butyl-2-(3,4-difluorophenoxy)-N-ethylacetamide is CCCCN(CC)C(=O)COc1ccc(F)c(F)c1.
What is the InChIKey of N-butyl-2-(3,4-difluorophenoxy)-N-ethylacetamide?
The InChIKey is ZHZDZIBDLVJTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO2/c1-3-5-8-17(4-2)14(18)10-19-11-6-7-12(15)13(16)9-11/h6-7,9H,3-5,8,10H2,1-2H3.
What are the key properties of N-butyl-2-(3,4-difluorophenoxy)-N-ethylacetamide?
N-butyl-2-(3,4-difluorophenoxy)-N-ethylacetamide has a molecular weight of 271.31 g/mol, XLogP of 2.99, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(3,4-difluorophenoxy)-N-ethylacetamide is sourced from PubChem (CID 78814916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).