methyl 3-ethyl-2-(3-fluoro-5-methylanilino)pentanoate

C15H22FNO2 — CID 79050437

IUPACmethyl 3-ethyl-2-(3-fluoro-5-methylanilino)pentanoate
SMILESCCC(CC)C(Nc1cc(C)cc(F)c1)C(=O)OC
InChIInChI=1S/C15H22FNO2/c1-5-11(6-2)14(15(18)19-4)17-13-8-10(3)7-12(16)9-13/h7-9,11,14,17H,5-6H2,1-4H3
InChIKeyCTPSLBGNXDJJDX-UHFFFAOYSA-N
MW267.34 g/mol
LogP3.52
Rot. Bonds6

About methyl 3-ethyl-2-(3-fluoro-5-methylanilino)pentanoate

methyl 3-ethyl-2-(3-fluoro-5-methylanilino)pentanoate (PubChem CID 79050437) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is methyl 3-ethyl-2-(3-fluoro-5-methylanilino)pentanoate.

Molecular Properties

Compound Namemethyl 3-ethyl-2-(3-fluoro-5-methylanilino)pentanoate
PubChem CID79050437
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Namemethyl 3-ethyl-2-(3-fluoro-5-methylanilino)pentanoate
SMILESCCC(CC)C(Nc1cc(C)cc(F)c1)C(=O)OC
InChIInChI=1S/C15H22FNO2/c1-5-11(6-2)14(15(18)19-4)17-13-8-10(3)7-12(16)9-13/h7-9,11,14,17H,5-6H2,1-4H3
InChIKeyCTPSLBGNXDJJDX-UHFFFAOYSA-N
XLogP3.52
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 3-ethyl-2-(3-fluoro-5-methylanilino)pentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-(3-fluoro-5-methylanilino)pentanoate
CID 79050514
ethyl 2-(3-fluoro-5-methylanilino)-3-methylhexanoate
CID 79050057
methyl 2-(3-fluoro-5-methylanilino)-4,4-dimethylpentanoate
CID 79049650
3-ethyl-2-(3-fluoro-5-methylanilino)pentan-1-ol
CID 79048010
ethyl 2-(3-fluoro-5-methylanilino)-4-methoxy-4-methylpentanoate
CID 106676058
tert-butyl 2-(3-fluoro-5-methylanilino)propanoate
CID 79054844
methyl 2-(1-ethylpyrazol-4-yl)-2-(3-fluoro-5-methylanilino)acetate
CID 103569974
dimethyl 2-(3,5-dimethylanilino)propanedioate
CID 142664193
methyl 2-(3-cyano-5-fluoroanilino)-3-methylbutanoate
CID 102815971
3-ethyl-2-(3-fluoroanilino)pentanoic acid
CID 61319324
2-(3-fluoro-5-methylanilino)-N-propylpropanamide
CID 79055254
ethyl 3-azido-2-(3-fluoro-5-methylanilino)propanoate
CID 79049579

Frequently Asked Questions

What is the IUPAC name of methyl 3-ethyl-2-(3-fluoro-5-methylanilino)pentanoate?
The IUPAC name of methyl 3-ethyl-2-(3-fluoro-5-methylanilino)pentanoate (CID 79050437) is methyl 3-ethyl-2-(3-fluoro-5-methylanilino)pentanoate.
What is the SMILES notation for methyl 3-ethyl-2-(3-fluoro-5-methylanilino)pentanoate?
The canonical SMILES for methyl 3-ethyl-2-(3-fluoro-5-methylanilino)pentanoate is CCC(CC)C(Nc1cc(C)cc(F)c1)C(=O)OC.
What is the InChIKey of methyl 3-ethyl-2-(3-fluoro-5-methylanilino)pentanoate?
The InChIKey is CTPSLBGNXDJJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-5-11(6-2)14(15(18)19-4)17-13-8-10(3)7-12(16)9-13/h7-9,11,14,17H,5-6H2,1-4H3.
What are the key properties of methyl 3-ethyl-2-(3-fluoro-5-methylanilino)pentanoate?
methyl 3-ethyl-2-(3-fluoro-5-methylanilino)pentanoate has a molecular weight of 267.34 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-ethyl-2-(3-fluoro-5-methylanilino)pentanoate is sourced from PubChem (CID 79050437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).