1-[3-[3-[[4-(dimethylamino)phenyl]methyl]-2-fluoro-6-methoxyphenyl]phenyl]ethanone

C24H24FNO2 — CID 58019957

IUPAC1-[3-[3-[[4-(dimethylamino)phenyl]methyl]-2-fluoro-6-methoxyphenyl]phenyl]ethanone
SMILESCOc1ccc(Cc2ccc(N(C)C)cc2)c(F)c1-c1cccc(C(C)=O)c1
InChIInChI=1S/C24H24FNO2/c1-16(27)18-6-5-7-19(15-18)23-22(28-4)13-10-20(24(23)25)14-17-8-11-21(12-9-17)26(2)3/h5-13,15H,14H2,1-4H3
InChIKeyRUZUUBMAUHGZEL-UHFFFAOYSA-N
MW377.46 g/mol
LogP5.36
Rot. Bonds6

About 1-[3-[3-[[4-(dimethylamino)phenyl]methyl]-2-fluoro-6-methoxyphenyl]phenyl]ethanone

1-[3-[3-[[4-(dimethylamino)phenyl]methyl]-2-fluoro-6-methoxyphenyl]phenyl]ethanone (PubChem CID 58019957) has the molecular formula C24H24FNO2 and a molecular weight of 377.46 g/mol. Its IUPAC name is 1-[3-[3-[[4-(dimethylamino)phenyl]methyl]-2-fluoro-6-methoxyphenyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[3-[[4-(dimethylamino)phenyl]methyl]-2-fluoro-6-methoxyphenyl]phenyl]ethanone
PubChem CID58019957
Molecular FormulaC24H24FNO2
Molecular Weight377.46 g/mol
Exact Mass377.18
IUPAC Name1-[3-[3-[[4-(dimethylamino)phenyl]methyl]-2-fluoro-6-methoxyphenyl]phenyl]ethanone
SMILESCOc1ccc(Cc2ccc(N(C)C)cc2)c(F)c1-c1cccc(C(C)=O)c1
InChIInChI=1S/C24H24FNO2/c1-16(27)18-6-5-7-19(15-18)23-22(28-4)13-10-20(24(23)25)14-17-8-11-21(12-9-17)26(2)3/h5-13,15H,14H2,1-4H3
InChIKeyRUZUUBMAUHGZEL-UHFFFAOYSA-N
XLogP5.36
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.46
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-[[4-(dimethylamino)phenyl]methyl]-2-fluoro-6-methoxyphenyl]phenyl]ethanone?
The IUPAC name of 1-[3-[3-[[4-(dimethylamino)phenyl]methyl]-2-fluoro-6-methoxyphenyl]phenyl]ethanone (CID 58019957) is 1-[3-[3-[[4-(dimethylamino)phenyl]methyl]-2-fluoro-6-methoxyphenyl]phenyl]ethanone.
What is the SMILES notation for 1-[3-[3-[[4-(dimethylamino)phenyl]methyl]-2-fluoro-6-methoxyphenyl]phenyl]ethanone?
The canonical SMILES for 1-[3-[3-[[4-(dimethylamino)phenyl]methyl]-2-fluoro-6-methoxyphenyl]phenyl]ethanone is COc1ccc(Cc2ccc(N(C)C)cc2)c(F)c1-c1cccc(C(C)=O)c1.
What is the InChIKey of 1-[3-[3-[[4-(dimethylamino)phenyl]methyl]-2-fluoro-6-methoxyphenyl]phenyl]ethanone?
The InChIKey is RUZUUBMAUHGZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FNO2/c1-16(27)18-6-5-7-19(15-18)23-22(28-4)13-10-20(24(23)25)14-17-8-11-21(12-9-17)26(2)3/h5-13,15H,14H2,1-4H3.
What are the key properties of 1-[3-[3-[[4-(dimethylamino)phenyl]methyl]-2-fluoro-6-methoxyphenyl]phenyl]ethanone?
1-[3-[3-[[4-(dimethylamino)phenyl]methyl]-2-fluoro-6-methoxyphenyl]phenyl]ethanone has a molecular weight of 377.46 g/mol, XLogP of 5.36, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-[[4-(dimethylamino)phenyl]methyl]-2-fluoro-6-methoxyphenyl]phenyl]ethanone is sourced from PubChem (CID 58019957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).