methyl 2-anilino-2-(4-fluorophenyl)butanoate

C17H18FNO2 — CID 60992178

IUPACmethyl 2-anilino-2-(4-fluorophenyl)butanoate
SMILESCCC(Nc1ccccc1)(C(=O)OC)c1ccc(F)cc1
InChIInChI=1S/C17H18FNO2/c1-3-17(16(20)21-2,13-9-11-14(18)12-10-13)19-15-7-5-4-6-8-15/h4-12,19H,3H2,1-2H3
InChIKeyGZCIMCJDCCQIGO-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.72
Rot. Bonds5

About methyl 2-anilino-2-(4-fluorophenyl)butanoate

methyl 2-anilino-2-(4-fluorophenyl)butanoate (PubChem CID 60992178) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is methyl 2-anilino-2-(4-fluorophenyl)butanoate.

Molecular Properties

Compound Namemethyl 2-anilino-2-(4-fluorophenyl)butanoate
PubChem CID60992178
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC Namemethyl 2-anilino-2-(4-fluorophenyl)butanoate
SMILESCCC(Nc1ccccc1)(C(=O)OC)c1ccc(F)cc1
InChIInChI=1S/C17H18FNO2/c1-3-17(16(20)21-2,13-9-11-14(18)12-10-13)19-15-7-5-4-6-8-15/h4-12,19H,3H2,1-2H3
InChIKeyGZCIMCJDCCQIGO-UHFFFAOYSA-N
XLogP3.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 2-anilino-2-(4-fluorophenyl)butanoate 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-anilino-2-(2-fluorophenyl)butanoate
CID 115994470
2-(4-fluoroanilino)-2-(4-fluorophenyl)butanamide
CID 60996994
2-anilino-2-(4-methylphenyl)butanamide
CID 60996158
methyl 2-(cyclopropylmethylamino)-2-(4-fluorophenyl)butanoate
CID 54894019
methyl 2-phenyl-2-(propan-2-ylamino)butanoate
CID 60786838
methyl 2-(4-fluoroanilino)-2-(4-methylphenyl)propanoate
CID 60992217
methyl 2-ethyl-2-(4-fluoroanilino)hexanoate
CID 63953657
methyl 2-(4-fluorophenyl)-2-(oxolan-2-ylmethylamino)butanoate
CID 60993623
methyl 2-(4-bromophenyl)-2-(4-fluoroanilino)propanoate
CID 60990747
methyl 2-(1,3-dioxoisoindol-2-yl)-2-(4-fluorophenyl)butanoate
CID 138110757
2-(4-fluorophenyl)-2-(2,2,2-trifluoroethylamino)butanoic acid
CID 54892938
2-(3-methylanilino)-2-(4-methylphenyl)butanoic acid
CID 60993922

Frequently Asked Questions

What is the IUPAC name of methyl 2-anilino-2-(4-fluorophenyl)butanoate?
The IUPAC name of methyl 2-anilino-2-(4-fluorophenyl)butanoate (CID 60992178) is methyl 2-anilino-2-(4-fluorophenyl)butanoate.
What is the SMILES notation for methyl 2-anilino-2-(4-fluorophenyl)butanoate?
The canonical SMILES for methyl 2-anilino-2-(4-fluorophenyl)butanoate is CCC(Nc1ccccc1)(C(=O)OC)c1ccc(F)cc1.
What is the InChIKey of methyl 2-anilino-2-(4-fluorophenyl)butanoate?
The InChIKey is GZCIMCJDCCQIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-3-17(16(20)21-2,13-9-11-14(18)12-10-13)19-15-7-5-4-6-8-15/h4-12,19H,3H2,1-2H3.
What are the key properties of methyl 2-anilino-2-(4-fluorophenyl)butanoate?
methyl 2-anilino-2-(4-fluorophenyl)butanoate has a molecular weight of 287.33 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-anilino-2-(4-fluorophenyl)butanoate is sourced from PubChem (CID 60992178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).