1-(3-fluorophenyl)-3-(3-methoxy-N-methylanilino)propan-1-one

C17H18FNO2 — CID 62619389

IUPAC1-(3-fluorophenyl)-3-(3-methoxy-N-methylanilino)propan-1-one
SMILESCOc1cccc(N(C)CCC(=O)c2cccc(F)c2)c1
InChIInChI=1S/C17H18FNO2/c1-19(15-7-4-8-16(12-15)21-2)10-9-17(20)13-5-3-6-14(18)11-13/h3-8,11-12H,9-10H2,1-2H3
InChIKeySZCJOBRCMASIIO-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.54
Rot. Bonds6

About 1-(3-fluorophenyl)-3-(3-methoxy-N-methylanilino)propan-1-one

1-(3-fluorophenyl)-3-(3-methoxy-N-methylanilino)propan-1-one (PubChem CID 62619389) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-(3-methoxy-N-methylanilino)propan-1-one.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-(3-methoxy-N-methylanilino)propan-1-one
PubChem CID62619389
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC Name1-(3-fluorophenyl)-3-(3-methoxy-N-methylanilino)propan-1-one
SMILESCOc1cccc(N(C)CCC(=O)c2cccc(F)c2)c1
InChIInChI=1S/C17H18FNO2/c1-19(15-7-4-8-16(12-15)21-2)10-9-17(20)13-5-3-6-14(18)11-13/h3-8,11-12H,9-10H2,1-2H3
InChIKeySZCJOBRCMASIIO-UHFFFAOYSA-N
XLogP3.54
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluorophenyl)-1-(3-methoxyphenyl)ethanone
CID 60797583
1-(3-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylamino]propan-1-one
CID 62643375
3-[2,2-dimethylpropyl(methyl)amino]-1-(3-fluorophenyl)propan-1-one
CID 62643544
4-(3-methoxy-N-methylanilino)butanehydrazide
CID 63583591
3-[N-[(3-fluorophenyl)methyl]-3-methoxyanilino]propanoic acid
CID 82320063
3-(3-chloro-5-fluorophenyl)-1-(3-methoxyphenyl)propan-1-one
CID 24726545
3-(N-methylanilino)-1-phenylpropan-1-one
CID 15652804
4-fluoro-1-(3-methoxyphenyl)butan-1-one
CID 135043866
3-[(3-methoxyphenyl)methyl-methylamino]benzoic acid
CID 39369981
3-(2,4-dimethylphenyl)-1-(3-fluorophenyl)propan-1-one
CID 24726289
1-(3-fluorophenyl)-3-(2-hydroxy-5-methoxyphenyl)propane-1,3-dione
CID 873956
1-(3-fluorophenyl)-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propan-1-one
CID 62643371

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-(3-methoxy-N-methylanilino)propan-1-one?
The IUPAC name of 1-(3-fluorophenyl)-3-(3-methoxy-N-methylanilino)propan-1-one (CID 62619389) is 1-(3-fluorophenyl)-3-(3-methoxy-N-methylanilino)propan-1-one.
What is the SMILES notation for 1-(3-fluorophenyl)-3-(3-methoxy-N-methylanilino)propan-1-one?
The canonical SMILES for 1-(3-fluorophenyl)-3-(3-methoxy-N-methylanilino)propan-1-one is COc1cccc(N(C)CCC(=O)c2cccc(F)c2)c1.
What is the InChIKey of 1-(3-fluorophenyl)-3-(3-methoxy-N-methylanilino)propan-1-one?
The InChIKey is SZCJOBRCMASIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-19(15-7-4-8-16(12-15)21-2)10-9-17(20)13-5-3-6-14(18)11-13/h3-8,11-12H,9-10H2,1-2H3.
What are the key properties of 1-(3-fluorophenyl)-3-(3-methoxy-N-methylanilino)propan-1-one?
1-(3-fluorophenyl)-3-(3-methoxy-N-methylanilino)propan-1-one has a molecular weight of 287.33 g/mol, XLogP of 3.54, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-(3-methoxy-N-methylanilino)propan-1-one is sourced from PubChem (CID 62619389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).