1-(4-amino-3-fluorophenyl)-3-phenylpropan-1-one

C15H14FNO — CID 116547242

IUPAC1-(4-amino-3-fluorophenyl)-3-phenylpropan-1-one
SMILESNc1ccc(C(=O)CCc2ccccc2)cc1F
InChIInChI=1S/C15H14FNO/c16-13-10-12(7-8-14(13)17)15(18)9-6-11-4-2-1-3-5-11/h1-5,7-8,10H,6,9,17H2
InChIKeyJBQYPPFUAHPMSC-UHFFFAOYSA-N
MW243.28 g/mol
LogP3.22
Rot. Bonds4

About 1-(4-amino-3-fluorophenyl)-3-phenylpropan-1-one

1-(4-amino-3-fluorophenyl)-3-phenylpropan-1-one (PubChem CID 116547242) has the molecular formula C15H14FNO and a molecular weight of 243.28 g/mol. Its IUPAC name is 1-(4-amino-3-fluorophenyl)-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-(4-amino-3-fluorophenyl)-3-phenylpropan-1-one
PubChem CID116547242
Molecular FormulaC15H14FNO
Molecular Weight243.28 g/mol
Exact Mass243.11
IUPAC Name1-(4-amino-3-fluorophenyl)-3-phenylpropan-1-one
SMILESNc1ccc(C(=O)CCc2ccccc2)cc1F
InChIInChI=1S/C15H14FNO/c16-13-10-12(7-8-14(13)17)15(18)9-6-11-4-2-1-3-5-11/h1-5,7-8,10H,6,9,17H2
InChIKeyJBQYPPFUAHPMSC-UHFFFAOYSA-N
XLogP3.22
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-bromo-3-fluorophenyl)-3-phenylpropan-1-one
CID 24725587
1-(3-fluoro-4-methoxyphenyl)-3-phenylpropan-1-one
CID 43474033
4-amino-3-fluoro-N-methyl-N-(2-phenylethyl)benzamide
CID 62680430
1-(4-amino-3-fluorophenyl)-2-(4-hydroxyphenyl)ethanone
CID 116547280
1-(3,4-dichlorophenyl)-3-phenylpropan-1-one
CID 18351990
methyl 4-(4-amino-3-fluorophenyl)-4-oxobutanoate
CID 20536405
1-[4-(aminomethyl)phenyl]-3-phenylpropan-1-one
CID 116548233
1-(4-amino-3-fluorophenyl)hex-5-en-1-one
CID 116547272
1-(4-amino-3-fluorophenyl)-4-ethylsulfonylbutan-1-one
CID 116547249
1-(4-iodophenyl)-3-phenylpropan-1-one
CID 43160297
1-(3,4-difluorophenyl)-3-(3,4,5-trifluorophenyl)propan-1-one
CID 24726642
1-(4-amino-3-fluorophenyl)but-3-en-1-one
CID 116547167

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-fluorophenyl)-3-phenylpropan-1-one?
The IUPAC name of 1-(4-amino-3-fluorophenyl)-3-phenylpropan-1-one (CID 116547242) is 1-(4-amino-3-fluorophenyl)-3-phenylpropan-1-one.
What is the SMILES notation for 1-(4-amino-3-fluorophenyl)-3-phenylpropan-1-one?
The canonical SMILES for 1-(4-amino-3-fluorophenyl)-3-phenylpropan-1-one is Nc1ccc(C(=O)CCc2ccccc2)cc1F.
What is the InChIKey of 1-(4-amino-3-fluorophenyl)-3-phenylpropan-1-one?
The InChIKey is JBQYPPFUAHPMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO/c16-13-10-12(7-8-14(13)17)15(18)9-6-11-4-2-1-3-5-11/h1-5,7-8,10H,6,9,17H2.
What are the key properties of 1-(4-amino-3-fluorophenyl)-3-phenylpropan-1-one?
1-(4-amino-3-fluorophenyl)-3-phenylpropan-1-one has a molecular weight of 243.28 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-fluorophenyl)-3-phenylpropan-1-one is sourced from PubChem (CID 116547242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).