N-[1-(4-fluorophenyl)ethyl]-2-[(3-fluorophenyl)methyl-methylamino]-N-methylacetamide

C19H22F2N2O — CID 86913404

IUPACN-[1-(4-fluorophenyl)ethyl]-2-[(3-fluorophenyl)methyl-methylamino]-N-methylacetamide
SMILESCC(c1ccc(F)cc1)N(C)C(=O)CN(C)Cc1cccc(F)c1
InChIInChI=1S/C19H22F2N2O/c1-14(16-7-9-17(20)10-8-16)23(3)19(24)13-22(2)12-15-5-4-6-18(21)11-15/h4-11,14H,12-13H2,1-3H3
InChIKeyQNOCGQOXOBEVBT-UHFFFAOYSA-N
MW332.39 g/mol
LogP3.62
Rot. Bonds6

About N-[1-(4-fluorophenyl)ethyl]-2-[(3-fluorophenyl)methyl-methylamino]-N-methylacetamide

N-[1-(4-fluorophenyl)ethyl]-2-[(3-fluorophenyl)methyl-methylamino]-N-methylacetamide (PubChem CID 86913404) has the molecular formula C19H22F2N2O and a molecular weight of 332.39 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]-2-[(3-fluorophenyl)methyl-methylamino]-N-methylacetamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]-2-[(3-fluorophenyl)methyl-methylamino]-N-methylacetamide
PubChem CID86913404
Molecular FormulaC19H22F2N2O
Molecular Weight332.39 g/mol
Exact Mass332.17
IUPAC NameN-[1-(4-fluorophenyl)ethyl]-2-[(3-fluorophenyl)methyl-methylamino]-N-methylacetamide
SMILESCC(c1ccc(F)cc1)N(C)C(=O)CN(C)Cc1cccc(F)c1
InChIInChI=1S/C19H22F2N2O/c1-14(16-7-9-17(20)10-8-16)23(3)19(24)13-22(2)12-15-5-4-6-18(21)11-15/h4-11,14H,12-13H2,1-3H3
InChIKeyQNOCGQOXOBEVBT-UHFFFAOYSA-N
XLogP3.62
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.39
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide
CID 134041772
2-[[2-[1-(4-fluorophenyl)ethyl-methylamino]-2-oxoethyl]-methylamino]acetamide
CID 56815151
1-(4-fluorophenyl)-2-[(3-fluorophenyl)methyl-methylamino]ethanone
CID 60650449
2-(3-fluorophenyl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 42945810
2-[(3-fluorophenyl)methyl-methylamino]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 86908474
N-[(2-fluorophenyl)methyl]-2-[(3-fluorophenyl)methyl-methylamino]-N-methylacetamide
CID 86908480
2-[(3-fluorophenyl)methyl-methylamino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 78894496
2-[(3-fluorophenyl)methyl-methylamino]-N-(2-methylpropyl)acetamide
CID 86976781
2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide
CID 111858821
N-(4-fluorophenyl)-2-[methyl-[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl]amino]acetamide
CID 9348198
N,N-bis(2-cyanoethyl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide
CID 86911190
N-(3-amino-3-sulfanylidenepropyl)-2-[(3-fluorophenyl)methyl-methylamino]-N-methylacetamide
CID 43290526

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethyl]-2-[(3-fluorophenyl)methyl-methylamino]-N-methylacetamide?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]-2-[(3-fluorophenyl)methyl-methylamino]-N-methylacetamide (CID 86913404) is N-[1-(4-fluorophenyl)ethyl]-2-[(3-fluorophenyl)methyl-methylamino]-N-methylacetamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]-2-[(3-fluorophenyl)methyl-methylamino]-N-methylacetamide?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]-2-[(3-fluorophenyl)methyl-methylamino]-N-methylacetamide is CC(c1ccc(F)cc1)N(C)C(=O)CN(C)Cc1cccc(F)c1.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]-2-[(3-fluorophenyl)methyl-methylamino]-N-methylacetamide?
The InChIKey is QNOCGQOXOBEVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2O/c1-14(16-7-9-17(20)10-8-16)23(3)19(24)13-22(2)12-15-5-4-6-18(21)11-15/h4-11,14H,12-13H2,1-3H3.
What are the key properties of N-[1-(4-fluorophenyl)ethyl]-2-[(3-fluorophenyl)methyl-methylamino]-N-methylacetamide?
N-[1-(4-fluorophenyl)ethyl]-2-[(3-fluorophenyl)methyl-methylamino]-N-methylacetamide has a molecular weight of 332.39 g/mol, XLogP of 3.62, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethyl]-2-[(3-fluorophenyl)methyl-methylamino]-N-methylacetamide is sourced from PubChem (CID 86913404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).