methyl 2-(3-fluoroanilino)-2-propylpentanoate

C15H22FNO2 — CID 54890413

IUPACmethyl 2-(3-fluoroanilino)-2-propylpentanoate
SMILESCCCC(CCC)(Nc1cccc(F)c1)C(=O)OC
InChIInChI=1S/C15H22FNO2/c1-4-9-15(10-5-2,14(18)19-3)17-13-8-6-7-12(16)11-13/h6-8,11,17H,4-5,9-10H2,1-3H3
InChIKeyHHYPVACIFXGBQP-UHFFFAOYSA-N
MW267.34 g/mol
LogP3.75
Rot. Bonds7

About methyl 2-(3-fluoroanilino)-2-propylpentanoate

methyl 2-(3-fluoroanilino)-2-propylpentanoate (PubChem CID 54890413) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is methyl 2-(3-fluoroanilino)-2-propylpentanoate.

Molecular Properties

Compound Namemethyl 2-(3-fluoroanilino)-2-propylpentanoate
PubChem CID54890413
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Namemethyl 2-(3-fluoroanilino)-2-propylpentanoate
SMILESCCCC(CCC)(Nc1cccc(F)c1)C(=O)OC
InChIInChI=1S/C15H22FNO2/c1-4-9-15(10-5-2,14(18)19-3)17-13-8-6-7-12(16)11-13/h6-8,11,17H,4-5,9-10H2,1-3H3
InChIKeyHHYPVACIFXGBQP-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

Analyze methyl 2-(3-fluoroanilino)-2-propylpentanoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-fluoroanilino)-2-propylpentanoate?
The IUPAC name of methyl 2-(3-fluoroanilino)-2-propylpentanoate (CID 54890413) is methyl 2-(3-fluoroanilino)-2-propylpentanoate.
What is the SMILES notation for methyl 2-(3-fluoroanilino)-2-propylpentanoate?
The canonical SMILES for methyl 2-(3-fluoroanilino)-2-propylpentanoate is CCCC(CCC)(Nc1cccc(F)c1)C(=O)OC.
What is the InChIKey of methyl 2-(3-fluoroanilino)-2-propylpentanoate?
The InChIKey is HHYPVACIFXGBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-4-9-15(10-5-2,14(18)19-3)17-13-8-6-7-12(16)11-13/h6-8,11,17H,4-5,9-10H2,1-3H3.
What are the key properties of methyl 2-(3-fluoroanilino)-2-propylpentanoate?
methyl 2-(3-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-(3-fluoroanilino)-2-propylpentanoate is sourced from PubChem (CID 54890413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).