methyl 2-(3-fluoro-5-methylanilino)-2-propylpentanoate

C16H24FNO2 — CID 79049647

IUPACmethyl 2-(3-fluoro-5-methylanilino)-2-propylpentanoate
SMILESCCCC(CCC)(Nc1cc(C)cc(F)c1)C(=O)OC
InChIInChI=1S/C16H24FNO2/c1-5-7-16(8-6-2,15(19)20-4)18-14-10-12(3)9-13(17)11-14/h9-11,18H,5-8H2,1-4H3
InChIKeyIFIZVMXRRSSOGV-UHFFFAOYSA-N
MW281.37 g/mol
LogP4.06
Rot. Bonds7

About methyl 2-(3-fluoro-5-methylanilino)-2-propylpentanoate

methyl 2-(3-fluoro-5-methylanilino)-2-propylpentanoate (PubChem CID 79049647) has the molecular formula C16H24FNO2 and a molecular weight of 281.37 g/mol. Its IUPAC name is methyl 2-(3-fluoro-5-methylanilino)-2-propylpentanoate.

Molecular Properties

Compound Namemethyl 2-(3-fluoro-5-methylanilino)-2-propylpentanoate
PubChem CID79049647
Molecular FormulaC16H24FNO2
Molecular Weight281.37 g/mol
Exact Mass281.18
IUPAC Namemethyl 2-(3-fluoro-5-methylanilino)-2-propylpentanoate
SMILESCCCC(CCC)(Nc1cc(C)cc(F)c1)C(=O)OC
InChIInChI=1S/C16H24FNO2/c1-5-7-16(8-6-2,15(19)20-4)18-14-10-12(3)9-13(17)11-14/h9-11,18H,5-8H2,1-4H3
InChIKeyIFIZVMXRRSSOGV-UHFFFAOYSA-N
XLogP4.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-2-(3-fluoro-5-methylanilino)hexanoic acid
CID 79050285
ethyl 2-(3-methylanilino)-2-propylpentanoate
CID 63525337
methyl 2-(2-fluoroanilino)-2-propylpentanoate
CID 54890183
methyl 2-(3-fluoro-5-methylanilino)pentanoate
CID 79050514
2-(3-fluoro-5-methylanilino)-2-methylnonanamide
CID 79044705
methyl 2-ethyl-2-(4-fluoroanilino)hexanoate
CID 63953657
methyl 2-(4-chloroanilino)-2-ethylpentanoate
CID 114079648
ethyl 2-(3-fluoro-5-methylanilino)-4-methoxy-4-methylpentanoate
CID 106676058
ethyl 2-(4-methoxyanilino)-2-propylpentanoate
CID 60991340
N-(3-fluoro-5-methylphenyl)propanamide
CID 79047082
ethyl 2-(3-fluoroanilino)-2-methylpentanoate
CID 54890603
methyl 2-(3-fluoro-5-methylanilino)-4,4-dimethylpentanoate
CID 79049650

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-fluoro-5-methylanilino)-2-propylpentanoate?
The IUPAC name of methyl 2-(3-fluoro-5-methylanilino)-2-propylpentanoate (CID 79049647) is methyl 2-(3-fluoro-5-methylanilino)-2-propylpentanoate.
What is the SMILES notation for methyl 2-(3-fluoro-5-methylanilino)-2-propylpentanoate?
The canonical SMILES for methyl 2-(3-fluoro-5-methylanilino)-2-propylpentanoate is CCCC(CCC)(Nc1cc(C)cc(F)c1)C(=O)OC.
What is the InChIKey of methyl 2-(3-fluoro-5-methylanilino)-2-propylpentanoate?
The InChIKey is IFIZVMXRRSSOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO2/c1-5-7-16(8-6-2,15(19)20-4)18-14-10-12(3)9-13(17)11-14/h9-11,18H,5-8H2,1-4H3.
What are the key properties of methyl 2-(3-fluoro-5-methylanilino)-2-propylpentanoate?
methyl 2-(3-fluoro-5-methylanilino)-2-propylpentanoate has a molecular weight of 281.37 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-fluoro-5-methylanilino)-2-propylpentanoate is sourced from PubChem (CID 79049647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).