ethyl 2-(4-fluoroanilino)-2,4-dimethylpentanoate

C15H22FNO2 — CID 54889999

IUPACethyl 2-(4-fluoroanilino)-2,4-dimethylpentanoate
SMILESCCOC(=O)C(C)(CC(C)C)Nc1ccc(F)cc1
InChIInChI=1S/C15H22FNO2/c1-5-19-14(18)15(4,10-11(2)3)17-13-8-6-12(16)7-9-13/h6-9,11,17H,5,10H2,1-4H3
InChIKeyZCDSCVMFFSZRGC-UHFFFAOYSA-N
MW267.34 g/mol
LogP3.61
Rot. Bonds6

About ethyl 2-(4-fluoroanilino)-2,4-dimethylpentanoate

ethyl 2-(4-fluoroanilino)-2,4-dimethylpentanoate (PubChem CID 54889999) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is ethyl 2-(4-fluoroanilino)-2,4-dimethylpentanoate.

Molecular Properties

Compound Nameethyl 2-(4-fluoroanilino)-2,4-dimethylpentanoate
PubChem CID54889999
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Nameethyl 2-(4-fluoroanilino)-2,4-dimethylpentanoate
SMILESCCOC(=O)C(C)(CC(C)C)Nc1ccc(F)cc1
InChIInChI=1S/C15H22FNO2/c1-5-19-14(18)15(4,10-11(2)3)17-13-8-6-12(16)7-9-13/h6-9,11,17H,5,10H2,1-4H3
InChIKeyZCDSCVMFFSZRGC-UHFFFAOYSA-N
XLogP3.61
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 ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 2-(4-fluoroanilino)-2,4-dimethylpentanoate 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

Ethyl 2-(4-fluoroanilino)-2-oxoacetate
CID 2774365
(R)-2-[3-(2-Fluoro-phenyl)-ureido]-4-methyl-pentanoic acid methyl ester
CID 946613
[2-(3-Fluoro-4-methylanilino)-2-oxoethyl] pentanoate
CID 2458262
(R)-2-[3-(4-Fluoro-phenyl)-ureido]-4-methyl-pentanoic acid methyl ester
CID 942494
[2-(3-Fluoroanilino)-2-oxoethyl] cyclohexanecarboxylate
CID 2370397
[2-(3-Fluoroanilino)-2-oxoethyl] 2-cyclopentylacetate
CID 2480700
[2-(3-Fluoroanilino)-2-oxoethyl] 2-methylcyclopropane-1-carboxylate
CID 16289700
Ethyl 2-(4-fluoroanilino)acetate
CID 711751
Methyl 2-methyl-2-[(4-methylphenyl)amino]propanoate
CID 60992031
Ethyl 2-((3-fluorophenyl)amino)-2-oxoacetate
CID 3413523
Ethyl 2-[(4-fluorophenyl)amino]propanoate
CID 13532087
[2-(4-Fluoroanilino)-2-oxoethyl] cyclobutanecarboxylate
CID 2334937

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-fluoroanilino)-2,4-dimethylpentanoate?
The IUPAC name of ethyl 2-(4-fluoroanilino)-2,4-dimethylpentanoate (CID 54889999) is ethyl 2-(4-fluoroanilino)-2,4-dimethylpentanoate.
What is the SMILES notation for ethyl 2-(4-fluoroanilino)-2,4-dimethylpentanoate?
The canonical SMILES for ethyl 2-(4-fluoroanilino)-2,4-dimethylpentanoate is CCOC(=O)C(C)(CC(C)C)Nc1ccc(F)cc1.
What is the InChIKey of ethyl 2-(4-fluoroanilino)-2,4-dimethylpentanoate?
The InChIKey is ZCDSCVMFFSZRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-5-19-14(18)15(4,10-11(2)3)17-13-8-6-12(16)7-9-13/h6-9,11,17H,5,10H2,1-4H3.
What are the key properties of ethyl 2-(4-fluoroanilino)-2,4-dimethylpentanoate?
ethyl 2-(4-fluoroanilino)-2,4-dimethylpentanoate has a molecular weight of 267.34 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-fluoroanilino)-2,4-dimethylpentanoate is sourced from PubChem (CID 54889999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).