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

C17H18FNO2 — CID 115994470

IUPACmethyl 2-anilino-2-(2-fluorophenyl)butanoate
SMILESCCC(Nc1ccccc1)(C(=O)OC)c1ccccc1F
InChIInChI=1S/C17H18FNO2/c1-3-17(16(20)21-2,14-11-7-8-12-15(14)18)19-13-9-5-4-6-10-13/h4-12,19H,3H2,1-2H3
InChIKeyPKFFMZDUSXZJDX-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.72
Rot. Bonds5

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

methyl 2-anilino-2-(2-fluorophenyl)butanoate (PubChem CID 115994470) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is methyl 2-anilino-2-(2-fluorophenyl)butanoate.

Molecular Properties

Compound Namemethyl 2-anilino-2-(2-fluorophenyl)butanoate
PubChem CID115994470
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC Namemethyl 2-anilino-2-(2-fluorophenyl)butanoate
SMILESCCC(Nc1ccccc1)(C(=O)OC)c1ccccc1F
InChIInChI=1S/C17H18FNO2/c1-3-17(16(20)21-2,14-11-7-8-12-15(14)18)19-13-9-5-4-6-10-13/h4-12,19H,3H2,1-2H3
InChIKeyPKFFMZDUSXZJDX-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

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Related Compounds

methyl 2-anilino-2-(4-fluorophenyl)butanoate
CID 60992178
methyl 2-(2-fluorophenyl)-2-(4-methylanilino)propanoate
CID 60991205
2-(2-fluorophenyl)-2-(methylamino)butanamide
CID 112677135
methyl 2-ethyl-2-(2-fluoroanilino)butanoate
CID 54890887
methyl 2-(2-fluorophenyl)-2-(propylamino)propanoate
CID 60796122
2-(cyclopropylmethylamino)-2-(2-fluorophenyl)butanamide
CID 112677148
2-anilino-2-(4-methylphenyl)butanamide
CID 60996158
methyl 2-(2-fluoroanilino)-2-propylpentanoate
CID 54890183
methyl 2-phenyl-2-(propan-2-ylamino)butanoate
CID 60786838
2-(diethylamino)-2-(2-fluorophenyl)butanoic acid
CID 112679517
methyl 2-(2-fluorophenyl)-2-(prop-2-ynylamino)propanoate
CID 62367199
methyl 2-anilino-2-(2-methoxyphenyl)propanoate
CID 60990815

Frequently Asked Questions

What is the IUPAC name of methyl 2-anilino-2-(2-fluorophenyl)butanoate?
The IUPAC name of methyl 2-anilino-2-(2-fluorophenyl)butanoate (CID 115994470) is methyl 2-anilino-2-(2-fluorophenyl)butanoate.
What is the SMILES notation for methyl 2-anilino-2-(2-fluorophenyl)butanoate?
The canonical SMILES for methyl 2-anilino-2-(2-fluorophenyl)butanoate is CCC(Nc1ccccc1)(C(=O)OC)c1ccccc1F.
What is the InChIKey of methyl 2-anilino-2-(2-fluorophenyl)butanoate?
The InChIKey is PKFFMZDUSXZJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-3-17(16(20)21-2,14-11-7-8-12-15(14)18)19-13-9-5-4-6-10-13/h4-12,19H,3H2,1-2H3.
What are the key properties of methyl 2-anilino-2-(2-fluorophenyl)butanoate?
methyl 2-anilino-2-(2-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-(2-fluorophenyl)butanoate is sourced from PubChem (CID 115994470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).