2-(4-amino-2-fluorophenyl)-2-methyl-3-pyridin-4-ylpropanoyl chloride

C15H14ClFN2O — CID 117049145

IUPAC2-(4-amino-2-fluorophenyl)-2-methyl-3-pyridin-4-ylpropanoyl chloride
SMILESCC(Cc1ccncc1)(C(=O)Cl)c1ccc(N)cc1F
InChIInChI=1S/C15H14ClFN2O/c1-15(14(16)20,9-10-4-6-19-7-5-10)12-3-2-11(18)8-13(12)17/h2-8H,9,18H2,1H3
InChIKeyQMFOOGGTTHARPE-UHFFFAOYSA-N
MW292.74 g/mol
LogP3.07
Rot. Bonds4

About 2-(4-amino-2-fluorophenyl)-2-methyl-3-pyridin-4-ylpropanoyl chloride

2-(4-amino-2-fluorophenyl)-2-methyl-3-pyridin-4-ylpropanoyl chloride (PubChem CID 117049145) has the molecular formula C15H14ClFN2O and a molecular weight of 292.74 g/mol. Its IUPAC name is 2-(4-amino-2-fluorophenyl)-2-methyl-3-pyridin-4-ylpropanoyl chloride.

Molecular Properties

Compound Name2-(4-amino-2-fluorophenyl)-2-methyl-3-pyridin-4-ylpropanoyl chloride
PubChem CID117049145
Molecular FormulaC15H14ClFN2O
Molecular Weight292.74 g/mol
Exact Mass292.08
IUPAC Name2-(4-amino-2-fluorophenyl)-2-methyl-3-pyridin-4-ylpropanoyl chloride
SMILESCC(Cc1ccncc1)(C(=O)Cl)c1ccc(N)cc1F
InChIInChI=1S/C15H14ClFN2O/c1-15(14(16)20,9-10-4-6-19-7-5-10)12-3-2-11(18)8-13(12)17/h2-8H,9,18H2,1H3
InChIKeyQMFOOGGTTHARPE-UHFFFAOYSA-N
XLogP3.07
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.74
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2,5-dichlorophenyl)-2-methyl-3-pyridin-4-ylpropanoyl chloride
CID 117049122
2-(4-amino-2-fluorophenyl)-2-methylbutanoic acid
CID 117047700
2-(2-amino-5-fluorophenyl)-2-methyl-3-pyridin-4-ylpropanoic acid
CID 117048965
2-(4-amino-2-fluorophenyl)-2,3-dimethylbutanoyl chloride
CID 117048072
2-(3,4-difluorophenyl)-2-methyl-3-pyridin-4-ylpropanoic acid
CID 117048944
2-methyl-3-phenyl-2-(2,3,4-trifluorophenyl)propanoyl chloride
CID 117048253
ethyl 4-amino-2-(4-amino-2-fluorophenyl)-2-methylbutanoate
CID 117049885
2-methyl-2-naphthalen-2-yl-3-pyridin-4-ylpropanoyl chloride
CID 117049133
(2R)-2-amino-2-(4-amino-2-fluorophenyl)propanoic acid
CID 130648656
2-(4-amino-2-fluorophenyl)propan-2-ol
CID 122627261
2-(2,4-dichlorophenyl)-2-methyl-3-phenylpropanoyl chloride
CID 117048262
4-(2-aminobutan-2-yl)-3-fluoroaniline
CID 130134130

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-fluorophenyl)-2-methyl-3-pyridin-4-ylpropanoyl chloride?
The IUPAC name of 2-(4-amino-2-fluorophenyl)-2-methyl-3-pyridin-4-ylpropanoyl chloride (CID 117049145) is 2-(4-amino-2-fluorophenyl)-2-methyl-3-pyridin-4-ylpropanoyl chloride.
What is the SMILES notation for 2-(4-amino-2-fluorophenyl)-2-methyl-3-pyridin-4-ylpropanoyl chloride?
The canonical SMILES for 2-(4-amino-2-fluorophenyl)-2-methyl-3-pyridin-4-ylpropanoyl chloride is CC(Cc1ccncc1)(C(=O)Cl)c1ccc(N)cc1F.
What is the InChIKey of 2-(4-amino-2-fluorophenyl)-2-methyl-3-pyridin-4-ylpropanoyl chloride?
The InChIKey is QMFOOGGTTHARPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O/c1-15(14(16)20,9-10-4-6-19-7-5-10)12-3-2-11(18)8-13(12)17/h2-8H,9,18H2,1H3.
What are the key properties of 2-(4-amino-2-fluorophenyl)-2-methyl-3-pyridin-4-ylpropanoyl chloride?
2-(4-amino-2-fluorophenyl)-2-methyl-3-pyridin-4-ylpropanoyl chloride has a molecular weight of 292.74 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-fluorophenyl)-2-methyl-3-pyridin-4-ylpropanoyl chloride is sourced from PubChem (CID 117049145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).