2-[(3-chlorophenyl)methyl-methylamino]-1-(4-fluorophenyl)ethanone

C16H15ClFNO — CID 60650406

IUPAC2-[(3-chlorophenyl)methyl-methylamino]-1-(4-fluorophenyl)ethanone
SMILESCN(CC(=O)c1ccc(F)cc1)Cc1cccc(Cl)c1
InChIInChI=1S/C16H15ClFNO/c1-19(10-12-3-2-4-14(17)9-12)11-16(20)13-5-7-15(18)8-6-13/h2-9H,10-11H2,1H3
InChIKeyRIMJCEVHIMQMMV-UHFFFAOYSA-N
MW291.75 g/mol
LogP3.79
Rot. Bonds5

About 2-[(3-chlorophenyl)methyl-methylamino]-1-(4-fluorophenyl)ethanone

2-[(3-chlorophenyl)methyl-methylamino]-1-(4-fluorophenyl)ethanone (PubChem CID 60650406) has the molecular formula C16H15ClFNO and a molecular weight of 291.75 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl-methylamino]-1-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methyl-methylamino]-1-(4-fluorophenyl)ethanone
PubChem CID60650406
Molecular FormulaC16H15ClFNO
Molecular Weight291.75 g/mol
Exact Mass291.08
IUPAC Name2-[(3-chlorophenyl)methyl-methylamino]-1-(4-fluorophenyl)ethanone
SMILESCN(CC(=O)c1ccc(F)cc1)Cc1cccc(Cl)c1
InChIInChI=1S/C16H15ClFNO/c1-19(10-12-3-2-4-14(17)9-12)11-16(20)13-5-7-15(18)8-6-13/h2-9H,10-11H2,1H3
InChIKeyRIMJCEVHIMQMMV-UHFFFAOYSA-N
XLogP3.79
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.75
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methyl-methylamino]-1-(4-fluorophenyl)ethanone?
The IUPAC name of 2-[(3-chlorophenyl)methyl-methylamino]-1-(4-fluorophenyl)ethanone (CID 60650406) is 2-[(3-chlorophenyl)methyl-methylamino]-1-(4-fluorophenyl)ethanone.
What is the SMILES notation for 2-[(3-chlorophenyl)methyl-methylamino]-1-(4-fluorophenyl)ethanone?
The canonical SMILES for 2-[(3-chlorophenyl)methyl-methylamino]-1-(4-fluorophenyl)ethanone is CN(CC(=O)c1ccc(F)cc1)Cc1cccc(Cl)c1.
What is the InChIKey of 2-[(3-chlorophenyl)methyl-methylamino]-1-(4-fluorophenyl)ethanone?
The InChIKey is RIMJCEVHIMQMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNO/c1-19(10-12-3-2-4-14(17)9-12)11-16(20)13-5-7-15(18)8-6-13/h2-9H,10-11H2,1H3.
What are the key properties of 2-[(3-chlorophenyl)methyl-methylamino]-1-(4-fluorophenyl)ethanone?
2-[(3-chlorophenyl)methyl-methylamino]-1-(4-fluorophenyl)ethanone has a molecular weight of 291.75 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methyl-methylamino]-1-(4-fluorophenyl)ethanone is sourced from PubChem (CID 60650406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).