1-(5-acetyl-2-fluorophenyl)-3-[(3-methylphenyl)methylamino]propan-2-one

C19H20FNO2 — CID 140811360

IUPAC1-(5-acetyl-2-fluorophenyl)-3-[(3-methylphenyl)methylamino]propan-2-one
SMILESCC(=O)c1ccc(F)c(CC(=O)CNCc2cccc(C)c2)c1
InChIInChI=1S/C19H20FNO2/c1-13-4-3-5-15(8-13)11-21-12-18(23)10-17-9-16(14(2)22)6-7-19(17)20/h3-9,21H,10-12H2,1-2H3
InChIKeyIHKWWQQSJRRSOU-UHFFFAOYSA-N
MW313.37 g/mol
LogP3.24
Rot. Bonds7

About 1-(5-acetyl-2-fluorophenyl)-3-[(3-methylphenyl)methylamino]propan-2-one

1-(5-acetyl-2-fluorophenyl)-3-[(3-methylphenyl)methylamino]propan-2-one (PubChem CID 140811360) has the molecular formula C19H20FNO2 and a molecular weight of 313.37 g/mol. Its IUPAC name is 1-(5-acetyl-2-fluorophenyl)-3-[(3-methylphenyl)methylamino]propan-2-one.

Molecular Properties

Compound Name1-(5-acetyl-2-fluorophenyl)-3-[(3-methylphenyl)methylamino]propan-2-one
PubChem CID140811360
Molecular FormulaC19H20FNO2
Molecular Weight313.37 g/mol
Exact Mass313.15
IUPAC Name1-(5-acetyl-2-fluorophenyl)-3-[(3-methylphenyl)methylamino]propan-2-one
SMILESCC(=O)c1ccc(F)c(CC(=O)CNCc2cccc(C)c2)c1
InChIInChI=1S/C19H20FNO2/c1-13-4-3-5-15(8-13)11-21-12-18(23)10-17-9-16(14(2)22)6-7-19(17)20/h3-9,21H,10-12H2,1-2H3
InChIKeyIHKWWQQSJRRSOU-UHFFFAOYSA-N
XLogP3.24
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,5-difluorophenyl)methyl]-1-(3-methylphenyl)methanamine
CID 43312720
N-methyl-2-[(3-methylphenyl)methylamino]acetamide
CID 43214398
2-(2-fluorophenyl)-N-[(3-methylphenyl)methyl]acetamide
CID 38240797
N-[(4-chlorophenyl)methyl]-2-[(3-methylphenyl)methylamino]acetamide
CID 108996725
N-(3-acetylphenyl)-3-[(3-methylphenyl)methylamino]propanamide
CID 109019689
3,4-difluoro-N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]benzamide
CID 112992174
2-fluoro-N-[4-fluoro-3-[3-(3-methylphenyl)-2-oxopropyl]phenyl]-5-methylbenzamide
CID 161125503
1-(3,4-difluorophenyl)-2-(3-methylphenyl)ethanone
CID 60797589
1-[3-fluoro-4-[methyl-[(3-methylphenyl)methyl]amino]phenyl]ethanone
CID 61414179
methyl 4-fluoro-3-[2-[(3-methylphenyl)methylamino]ethylamino]benzoate
CID 118069999
N-(3,4-difluorophenyl)-3-[(3-methylphenyl)methylamino]propanamide
CID 109019740
(Z)-3-chloro-2-methyl-N-[(3-methylphenyl)methyl]prop-2-en-1-amine
CID 106437509

Frequently Asked Questions

What is the IUPAC name of 1-(5-acetyl-2-fluorophenyl)-3-[(3-methylphenyl)methylamino]propan-2-one?
The IUPAC name of 1-(5-acetyl-2-fluorophenyl)-3-[(3-methylphenyl)methylamino]propan-2-one (CID 140811360) is 1-(5-acetyl-2-fluorophenyl)-3-[(3-methylphenyl)methylamino]propan-2-one.
What is the SMILES notation for 1-(5-acetyl-2-fluorophenyl)-3-[(3-methylphenyl)methylamino]propan-2-one?
The canonical SMILES for 1-(5-acetyl-2-fluorophenyl)-3-[(3-methylphenyl)methylamino]propan-2-one is CC(=O)c1ccc(F)c(CC(=O)CNCc2cccc(C)c2)c1.
What is the InChIKey of 1-(5-acetyl-2-fluorophenyl)-3-[(3-methylphenyl)methylamino]propan-2-one?
The InChIKey is IHKWWQQSJRRSOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO2/c1-13-4-3-5-15(8-13)11-21-12-18(23)10-17-9-16(14(2)22)6-7-19(17)20/h3-9,21H,10-12H2,1-2H3.
What are the key properties of 1-(5-acetyl-2-fluorophenyl)-3-[(3-methylphenyl)methylamino]propan-2-one?
1-(5-acetyl-2-fluorophenyl)-3-[(3-methylphenyl)methylamino]propan-2-one has a molecular weight of 313.37 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-acetyl-2-fluorophenyl)-3-[(3-methylphenyl)methylamino]propan-2-one is sourced from PubChem (CID 140811360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).