3-(4-aminophenyl)-1-(3,5-difluorophenyl)propan-1-one

C15H13F2NO — CID 116605567

IUPAC3-(4-aminophenyl)-1-(3,5-difluorophenyl)propan-1-one
SMILESNc1ccc(CCC(=O)c2cc(F)cc(F)c2)cc1
InChIInChI=1S/C15H13F2NO/c16-12-7-11(8-13(17)9-12)15(19)6-3-10-1-4-14(18)5-2-10/h1-2,4-5,7-9H,3,6,18H2
InChIKeyZCYTWELZDGWHRG-UHFFFAOYSA-N
MW261.27 g/mol
LogP3.36
Rot. Bonds4

About 3-(4-aminophenyl)-1-(3,5-difluorophenyl)propan-1-one

3-(4-aminophenyl)-1-(3,5-difluorophenyl)propan-1-one (PubChem CID 116605567) has the molecular formula C15H13F2NO and a molecular weight of 261.27 g/mol. Its IUPAC name is 3-(4-aminophenyl)-1-(3,5-difluorophenyl)propan-1-one.

Molecular Properties

Compound Name3-(4-aminophenyl)-1-(3,5-difluorophenyl)propan-1-one
PubChem CID116605567
Molecular FormulaC15H13F2NO
Molecular Weight261.27 g/mol
Exact Mass261.10
IUPAC Name3-(4-aminophenyl)-1-(3,5-difluorophenyl)propan-1-one
SMILESNc1ccc(CCC(=O)c2cc(F)cc(F)c2)cc1
InChIInChI=1S/C15H13F2NO/c16-12-7-11(8-13(17)9-12)15(19)6-3-10-1-4-14(18)5-2-10/h1-2,4-5,7-9H,3,6,18H2
InChIKeyZCYTWELZDGWHRG-UHFFFAOYSA-N
XLogP3.36
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(3,5-difluorophenyl)methyl 3-(4-aminophenyl)propanoate
CID 105407572
1-(4-aminophenyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 159232432
1-(4-aminophenyl)-3-(3,5-difluorophenyl)propan-2-one
CID 105411862
1-(3,5-difluorophenyl)-2-(4-methylphenyl)ethanone
CID 54980088
2-(4-bromophenyl)-1-(3,5-difluorophenyl)ethanone
CID 61055894
1-(3-aminophenyl)-3-(3-fluorophenyl)propan-1-one
CID 82117867
3-(4-aminophenyl)-1-(2-methylphenyl)propan-1-one
CID 116605558
3-(4-methylphenyl)-1-(3,4,5-trifluorophenyl)propan-1-one
CID 24725759
1-(3,5-difluorophenyl)-3-(furan-2-yl)propan-1-one
CID 105095139
1-(3,5-dimethylphenyl)-3-(4-methylsulfanylphenyl)propan-1-one
CID 24725990
3-(4-aminophenyl)-N-(2,4-difluorophenyl)propanamide
CID 28713220
1-(4-amino-3-fluorophenyl)-3-phenylpropan-1-one
CID 116547242

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-1-(3,5-difluorophenyl)propan-1-one?
The IUPAC name of 3-(4-aminophenyl)-1-(3,5-difluorophenyl)propan-1-one (CID 116605567) is 3-(4-aminophenyl)-1-(3,5-difluorophenyl)propan-1-one.
What is the SMILES notation for 3-(4-aminophenyl)-1-(3,5-difluorophenyl)propan-1-one?
The canonical SMILES for 3-(4-aminophenyl)-1-(3,5-difluorophenyl)propan-1-one is Nc1ccc(CCC(=O)c2cc(F)cc(F)c2)cc1.
What is the InChIKey of 3-(4-aminophenyl)-1-(3,5-difluorophenyl)propan-1-one?
The InChIKey is ZCYTWELZDGWHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NO/c16-12-7-11(8-13(17)9-12)15(19)6-3-10-1-4-14(18)5-2-10/h1-2,4-5,7-9H,3,6,18H2.
What are the key properties of 3-(4-aminophenyl)-1-(3,5-difluorophenyl)propan-1-one?
3-(4-aminophenyl)-1-(3,5-difluorophenyl)propan-1-one has a molecular weight of 261.27 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-1-(3,5-difluorophenyl)propan-1-one is sourced from PubChem (CID 116605567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).