2-[2-(4-fluorophenoxy)butanoylamino]benzamide

C17H17FN2O3 — CID 43906030

IUPAC2-[2-(4-fluorophenoxy)butanoylamino]benzamide
SMILESCCC(Oc1ccc(F)cc1)C(=O)Nc1ccccc1C(N)=O
InChIInChI=1S/C17H17FN2O3/c1-2-15(23-12-9-7-11(18)8-10-12)17(22)20-14-6-4-3-5-13(14)16(19)21/h3-10,15H,2H2,1H3,(H2,19,21)(H,20,22)
InChIKeyCZTOZZDLIVOKFH-UHFFFAOYSA-N
MW316.33 g/mol
LogP2.72
Rot. Bonds6

About 2-[2-(4-fluorophenoxy)butanoylamino]benzamide

2-[2-(4-fluorophenoxy)butanoylamino]benzamide (PubChem CID 43906030) has the molecular formula C17H17FN2O3 and a molecular weight of 316.33 g/mol. Its IUPAC name is 2-[2-(4-fluorophenoxy)butanoylamino]benzamide.

Molecular Properties

Compound Name2-[2-(4-fluorophenoxy)butanoylamino]benzamide
PubChem CID43906030
Molecular FormulaC17H17FN2O3
Molecular Weight316.33 g/mol
Exact Mass316.12
IUPAC Name2-[2-(4-fluorophenoxy)butanoylamino]benzamide
SMILESCCC(Oc1ccc(F)cc1)C(=O)Nc1ccccc1C(N)=O
InChIInChI=1S/C17H17FN2O3/c1-2-15(23-12-9-7-11(18)8-10-12)17(22)20-14-6-4-3-5-13(14)16(19)21/h3-10,15H,2H2,1H3,(H2,19,21)(H,20,22)
InChIKeyCZTOZZDLIVOKFH-UHFFFAOYSA-N
XLogP2.72
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(2S)-2-phenoxybutanoyl]amino]benzamide
CID 898266
2-[[(2S)-2-(4-ethylphenoxy)butanoyl]amino]benzamide
CID 99133167
N-(2-benzoylphenyl)-2-(4-fluorophenoxy)butanamide
CID 132656695
2-[[(2S)-2-naphthalen-2-yloxybutanoyl]amino]benzamide
CID 92675284
2-[[(2S)-2-(3,5-dimethylphenoxy)butanoyl]amino]benzamide
CID 99133293
N-butyl-2-[[(2S)-2-(4-fluorophenoxy)butanoyl]amino]benzamide
CID 28632385
2-[[(2R)-2-(2-methoxyphenoxy)butanoyl]amino]benzamide
CID 99132395
N-(2-chlorophenyl)-2-(4-fluorophenoxy)butanamide
CID 46771035
2-[2-(2-chlorophenoxy)butanoylamino]benzamide
CID 53284900
N-cyclohexyl-2-[2-(4-fluorophenoxy)butanoylamino]benzamide
CID 43886444
2-[2-(2,3-dimethylphenoxy)butanoylamino]benzamide
CID 53284462
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[(2R)-2-(4-fluorophenoxy)butanoyl]amino]benzamide
CID 92680845

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenoxy)butanoylamino]benzamide?
The IUPAC name of 2-[2-(4-fluorophenoxy)butanoylamino]benzamide (CID 43906030) is 2-[2-(4-fluorophenoxy)butanoylamino]benzamide.
What is the SMILES notation for 2-[2-(4-fluorophenoxy)butanoylamino]benzamide?
The canonical SMILES for 2-[2-(4-fluorophenoxy)butanoylamino]benzamide is CCC(Oc1ccc(F)cc1)C(=O)Nc1ccccc1C(N)=O.
What is the InChIKey of 2-[2-(4-fluorophenoxy)butanoylamino]benzamide?
The InChIKey is CZTOZZDLIVOKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O3/c1-2-15(23-12-9-7-11(18)8-10-12)17(22)20-14-6-4-3-5-13(14)16(19)21/h3-10,15H,2H2,1H3,(H2,19,21)(H,20,22).
What are the key properties of 2-[2-(4-fluorophenoxy)butanoylamino]benzamide?
2-[2-(4-fluorophenoxy)butanoylamino]benzamide has a molecular weight of 316.33 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenoxy)butanoylamino]benzamide is sourced from PubChem (CID 43906030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).