2-[(5-cyano-2-fluorophenyl)methyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide

C20H22FN3O — CID 17422315

IUPAC2-[(5-cyano-2-fluorophenyl)methyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CN(C)Cc2cc(C#N)ccc2F)c(C)c1
InChIInChI=1S/C20H22FN3O/c1-13-7-14(2)20(15(3)8-13)23-19(25)12-24(4)11-17-9-16(10-22)5-6-18(17)21/h5-9H,11-12H2,1-4H3,(H,23,25)
InChIKeyDREFRDNJHGZRJS-UHFFFAOYSA-N
MW339.41 g/mol
LogP3.69
Rot. Bonds5

About 2-[(5-cyano-2-fluorophenyl)methyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide

2-[(5-cyano-2-fluorophenyl)methyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 17422315) has the molecular formula C20H22FN3O and a molecular weight of 339.41 g/mol. Its IUPAC name is 2-[(5-cyano-2-fluorophenyl)methyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[(5-cyano-2-fluorophenyl)methyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID17422315
Molecular FormulaC20H22FN3O
Molecular Weight339.41 g/mol
Exact Mass339.17
IUPAC Name2-[(5-cyano-2-fluorophenyl)methyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CN(C)Cc2cc(C#N)ccc2F)c(C)c1
InChIInChI=1S/C20H22FN3O/c1-13-7-14(2)20(15(3)8-13)23-19(25)12-24(4)11-17-9-16(10-22)5-6-18(17)21/h5-9H,11-12H2,1-4H3,(H,23,25)
InChIKeyDREFRDNJHGZRJS-UHFFFAOYSA-N
XLogP3.69
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.41
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-cyano-2-fluoro-N-methylanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 133339045
N-(2-bromophenyl)-2-[(5-cyano-2-fluorophenyl)methyl-methylamino]acetamide
CID 24681265
2-[(5-cyano-2-fluorophenyl)methyl-methylamino]-N-(3,4-dichlorophenyl)acetamide
CID 18131356
2-[(5-cyano-2-fluorophenyl)methyl-methylamino]acetic acid
CID 43442256
2-[(4-cyano-2-fluorophenyl)methyl-methylamino]-N-(2,6-dichlorophenyl)acetamide
CID 17423821
N-(5-chloro-2-methoxyphenyl)-2-[(5-cyano-2-fluorophenyl)methyl-methylamino]acetamide
CID 33083968
4-cyano-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 7478620
N-(5-chloro-2-fluorophenyl)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide
CID 51171851
3-cyano-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 8752557
N-(4-cyanophenyl)-2-[(2,4-dichlorophenyl)methyl-methylamino]acetamide
CID 2699365
4-fluoro-3-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]benzonitrile
CID 78927342
2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 113162238

Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyano-2-fluorophenyl)methyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-[(5-cyano-2-fluorophenyl)methyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide (CID 17422315) is 2-[(5-cyano-2-fluorophenyl)methyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-[(5-cyano-2-fluorophenyl)methyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-[(5-cyano-2-fluorophenyl)methyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide is Cc1cc(C)c(NC(=O)CN(C)Cc2cc(C#N)ccc2F)c(C)c1.
What is the InChIKey of 2-[(5-cyano-2-fluorophenyl)methyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is DREFRDNJHGZRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O/c1-13-7-14(2)20(15(3)8-13)23-19(25)12-24(4)11-17-9-16(10-22)5-6-18(17)21/h5-9H,11-12H2,1-4H3,(H,23,25).
What are the key properties of 2-[(5-cyano-2-fluorophenyl)methyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide?
2-[(5-cyano-2-fluorophenyl)methyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 339.41 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-cyano-2-fluorophenyl)methyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 17422315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).