methyl 2-(2-fluoroanilino)-2-propylpentanoate

C15H22FNO2 — CID 54890183

IUPACmethyl 2-(2-fluoroanilino)-2-propylpentanoate
SMILESCCCC(CCC)(Nc1ccccc1F)C(=O)OC
InChIInChI=1S/C15H22FNO2/c1-4-10-15(11-5-2,14(18)19-3)17-13-9-7-6-8-12(13)16/h6-9,17H,4-5,10-11H2,1-3H3
InChIKeyHLFAUEOQLCIXSB-UHFFFAOYSA-N
MW267.34 g/mol
LogP3.75
Rot. Bonds7

About methyl 2-(2-fluoroanilino)-2-propylpentanoate

methyl 2-(2-fluoroanilino)-2-propylpentanoate (PubChem CID 54890183) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is methyl 2-(2-fluoroanilino)-2-propylpentanoate.

Molecular Properties

Compound Namemethyl 2-(2-fluoroanilino)-2-propylpentanoate
PubChem CID54890183
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Namemethyl 2-(2-fluoroanilino)-2-propylpentanoate
SMILESCCCC(CCC)(Nc1ccccc1F)C(=O)OC
InChIInChI=1S/C15H22FNO2/c1-4-10-15(11-5-2,14(18)19-3)17-13-9-7-6-8-12(13)16/h6-9,17H,4-5,10-11H2,1-3H3
InChIKeyHLFAUEOQLCIXSB-UHFFFAOYSA-N
XLogP3.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-ethyl-2-(2-fluoroanilino)butanoate
CID 54890887
methyl 2-ethyl-2-(2-fluoroanilino)-4-methylhexanoate
CID 60993327
methyl 2-(2-fluoroanilino)-2-methylheptanoate
CID 80557964
methyl 2-(2-fluoroanilino)-2-methylnonanoate
CID 63525929
2-(2-methoxyanilino)-2-propylpentanoic acid
CID 60993872
methyl 2-(3-fluoro-5-methylanilino)-2-propylpentanoate
CID 79049647
methyl 2-ethyl-2-(2-methoxyanilino)butanoate
CID 54890267
2-N-(2-fluorophenyl)-2-propylpentane-1,2-diamine
CID 65378984
2-ethyl-2-(2-methoxyanilino)pentanoic acid
CID 114079646
methyl 3-cyclobutyl-2-(2-fluoroanilino)-2-methylpropanoate
CID 113490114
methyl 2-(2-fluoroanilino)-2-pyridin-4-ylpropanoate
CID 60994884
methyl 2-(4-chloroanilino)-2-ethylpentanoate
CID 114079648

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-fluoroanilino)-2-propylpentanoate?
The IUPAC name of methyl 2-(2-fluoroanilino)-2-propylpentanoate (CID 54890183) is methyl 2-(2-fluoroanilino)-2-propylpentanoate.
What is the SMILES notation for methyl 2-(2-fluoroanilino)-2-propylpentanoate?
The canonical SMILES for methyl 2-(2-fluoroanilino)-2-propylpentanoate is CCCC(CCC)(Nc1ccccc1F)C(=O)OC.
What is the InChIKey of methyl 2-(2-fluoroanilino)-2-propylpentanoate?
The InChIKey is HLFAUEOQLCIXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-4-10-15(11-5-2,14(18)19-3)17-13-9-7-6-8-12(13)16/h6-9,17H,4-5,10-11H2,1-3H3.
What are the key properties of methyl 2-(2-fluoroanilino)-2-propylpentanoate?
methyl 2-(2-fluoroanilino)-2-propylpentanoate has a molecular weight of 267.34 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-fluoroanilino)-2-propylpentanoate is sourced from PubChem (CID 54890183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).