2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(5-chloro-2-pyridinyl)acetamide

C15H14Cl2FN3O — CID 18087925

IUPAC2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(5-chloro-2-pyridinyl)acetamide
SMILESCN(CC(=O)Nc1ccc(Cl)cn1)Cc1c(F)cccc1Cl
InChIInChI=1S/C15H14Cl2FN3O/c1-21(8-11-12(17)3-2-4-13(11)18)9-15(22)20-14-6-5-10(16)7-19-14/h2-7H,8-9H2,1H3,(H,19,20,22)
InChIKeyYPPLFPSWHOWKBT-UHFFFAOYSA-N
MW342.20 g/mol
LogP3.60
Rot. Bonds5

About 2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(5-chloro-2-pyridinyl)acetamide

2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(5-chloro-2-pyridinyl)acetamide (PubChem CID 18087925) has the molecular formula C15H14Cl2FN3O and a molecular weight of 342.20 g/mol. Its IUPAC name is 2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(5-chloro-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(5-chloro-2-pyridinyl)acetamide
PubChem CID18087925
Molecular FormulaC15H14Cl2FN3O
Molecular Weight342.20 g/mol
Exact Mass341.05
IUPAC Name2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(5-chloro-2-pyridinyl)acetamide
SMILESCN(CC(=O)Nc1ccc(Cl)cn1)Cc1c(F)cccc1Cl
InChIInChI=1S/C15H14Cl2FN3O/c1-21(8-11-12(17)3-2-4-13(11)18)9-15(22)20-14-6-5-10(16)7-19-14/h2-7H,8-9H2,1H3,(H,19,20,22)
InChIKeyYPPLFPSWHOWKBT-UHFFFAOYSA-N
XLogP3.60
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.20
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(2,6-dichlorophenyl)acetamide
CID 2699425
N-(5-chloro-2-pyridinyl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide
CID 86908832
N-(2-acetylphenyl)-2-[(2-chloro-6-fluorophenyl)methyl-methylamino]acetamide
CID 9197428
N-(3-acetamidophenyl)-2-[(2-chloro-6-fluorophenyl)methyl-methylamino]acetamide
CID 32517503
2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 2699433
N-(5-chloro-2-pyridinyl)-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 46601522
2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9197340
N-(4-bromo-2-chlorophenyl)-2-[(2-chloro-6-fluorophenyl)methyl-methylamino]acetamide
CID 24566377
2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(propan-2-ylcarbamoyl)acetamide
CID 9197045
2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 2657966
2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 32517550
2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(2-phenoxyethyl)acetamide
CID 18087939

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(5-chloro-2-pyridinyl)acetamide?
The IUPAC name of 2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(5-chloro-2-pyridinyl)acetamide (CID 18087925) is 2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(5-chloro-2-pyridinyl)acetamide.
What is the SMILES notation for 2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(5-chloro-2-pyridinyl)acetamide?
The canonical SMILES for 2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(5-chloro-2-pyridinyl)acetamide is CN(CC(=O)Nc1ccc(Cl)cn1)Cc1c(F)cccc1Cl.
What is the InChIKey of 2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(5-chloro-2-pyridinyl)acetamide?
The InChIKey is YPPLFPSWHOWKBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2FN3O/c1-21(8-11-12(17)3-2-4-13(11)18)9-15(22)20-14-6-5-10(16)7-19-14/h2-7H,8-9H2,1H3,(H,19,20,22).
What are the key properties of 2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(5-chloro-2-pyridinyl)acetamide?
2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(5-chloro-2-pyridinyl)acetamide has a molecular weight of 342.20 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(5-chloro-2-pyridinyl)acetamide is sourced from PubChem (CID 18087925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).