N-butyl-N-ethyl-2-(2-fluorophenyl)acetamide

C14H20FNO — CID 86976336

IUPACN-butyl-N-ethyl-2-(2-fluorophenyl)acetamide
SMILESCCCCN(CC)C(=O)Cc1ccccc1F
InChIInChI=1S/C14H20FNO/c1-3-5-10-16(4-2)14(17)11-12-8-6-7-9-13(12)15/h6-9H,3-5,10-11H2,1-2H3
InChIKeyZELAPPHRJZGVBV-UHFFFAOYSA-N
MW237.32 g/mol
LogP3.02
Rot. Bonds6

About N-butyl-N-ethyl-2-(2-fluorophenyl)acetamide

N-butyl-N-ethyl-2-(2-fluorophenyl)acetamide (PubChem CID 86976336) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is N-butyl-N-ethyl-2-(2-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-butyl-N-ethyl-2-(2-fluorophenyl)acetamide
PubChem CID86976336
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC NameN-butyl-N-ethyl-2-(2-fluorophenyl)acetamide
SMILESCCCCN(CC)C(=O)Cc1ccccc1F
InChIInChI=1S/C14H20FNO/c1-3-5-10-16(4-2)14(17)11-12-8-6-7-9-13(12)15/h6-9H,3-5,10-11H2,1-2H3
InChIKeyZELAPPHRJZGVBV-UHFFFAOYSA-N
XLogP3.02
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-aminoethyl)-N-butyl-2-(2-fluorophenyl)acetamide
CID 63756056
2-[2-(aminomethyl)phenyl]-N-butyl-N-ethylacetamide
CID 81317798
N-butan-2-yl-N-butyl-2-(2-fluorophenyl)acetamide
CID 78805640
N-ethyl-2-(2-fluorophenyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 78858682
2-[[2-(2-fluorophenyl)acetyl]-propylamino]acetic acid
CID 61011390
N,N-dibutyl-2-(2-hydroxyphenyl)acetamide
CID 78916820
methyl 2-[[2-(2-fluorophenyl)acetyl]-propylamino]acetate
CID 55005808
N-butyl-N-(2-hydroxyethyl)-2-(2-hydroxyphenyl)acetamide
CID 80741482
N-butyl-N-[(2-fluorophenyl)methyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 50955019
N-butyl-N-ethyl-2-(3-hydroxyphenyl)acetamide
CID 61399892
1-(2-fluorophenyl)-3-[methyl(pentyl)amino]propan-2-one
CID 43796057
N'-butyl-N-[(2-fluorophenyl)methyl]-N'-methyloxamide
CID 108528538

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-ethyl-2-(2-fluorophenyl)acetamide?
The IUPAC name of N-butyl-N-ethyl-2-(2-fluorophenyl)acetamide (CID 86976336) is N-butyl-N-ethyl-2-(2-fluorophenyl)acetamide.
What is the SMILES notation for N-butyl-N-ethyl-2-(2-fluorophenyl)acetamide?
The canonical SMILES for N-butyl-N-ethyl-2-(2-fluorophenyl)acetamide is CCCCN(CC)C(=O)Cc1ccccc1F.
What is the InChIKey of N-butyl-N-ethyl-2-(2-fluorophenyl)acetamide?
The InChIKey is ZELAPPHRJZGVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-3-5-10-16(4-2)14(17)11-12-8-6-7-9-13(12)15/h6-9H,3-5,10-11H2,1-2H3.
What are the key properties of N-butyl-N-ethyl-2-(2-fluorophenyl)acetamide?
N-butyl-N-ethyl-2-(2-fluorophenyl)acetamide has a molecular weight of 237.32 g/mol, XLogP of 3.02, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-ethyl-2-(2-fluorophenyl)acetamide is sourced from PubChem (CID 86976336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).