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2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-N-(2,6-dimethylphenyl)acetamide

C20H22ClFN2O — CID 17489433

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)CN(Cc1c(F)cccc1Cl)C1CC1
InChIInChI=1S/C20H22ClFN2O/c1-13-5-3-6-14(2)20(13)23-19(25)12-24(15-9-10-15)11-16-17(21)7-4-8-18(16)22/h3-8,15H,9-12H2,1-2H3,(H,23,25)
InChIKeyCHLGZLMXXUYWIL-UHFFFAOYSA-N
MW360.86 g/mol
LogP4.70
Rot. Bonds6

About 2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-N-(2,6-dimethylphenyl)acetamide

2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-N-(2,6-dimethylphenyl)acetamide (PubChem CID 17489433) has the molecular formula C20H22ClFN2O and a molecular weight of 360.86 g/mol. Its IUPAC name is 2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-N-(2,6-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-N-(2,6-dimethylphenyl)acetamide
PubChem CID17489433
Molecular FormulaC20H22ClFN2O
Molecular Weight360.86 g/mol
Exact Mass360.14
IUPAC Name2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)CN(Cc1c(F)cccc1Cl)C1CC1
InChIInChI=1S/C20H22ClFN2O/c1-13-5-3-6-14(2)20(13)23-19(25)12-24(15-9-10-15)11-16-17(21)7-4-8-18(16)22/h3-8,15H,9-12H2,1-2H3,(H,23,25)
InChIKeyCHLGZLMXXUYWIL-UHFFFAOYSA-N
XLogP4.70
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.86
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-N-(2,6-dimethylphenyl)acetamide?
The IUPAC name of 2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-N-(2,6-dimethylphenyl)acetamide (CID 17489433) is 2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-N-(2,6-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-N-(2,6-dimethylphenyl)acetamide?
The canonical SMILES for 2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-N-(2,6-dimethylphenyl)acetamide is Cc1cccc(C)c1NC(=O)CN(Cc1c(F)cccc1Cl)C1CC1.
What is the InChIKey of 2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-N-(2,6-dimethylphenyl)acetamide?
The InChIKey is CHLGZLMXXUYWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClFN2O/c1-13-5-3-6-14(2)20(13)23-19(25)12-24(15-9-10-15)11-16-17(21)7-4-8-18(16)22/h3-8,15H,9-12H2,1-2H3,(H,23,25).
What are the key properties of 2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-N-(2,6-dimethylphenyl)acetamide?
2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-N-(2,6-dimethylphenyl)acetamide has a molecular weight of 360.86 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-N-(2,6-dimethylphenyl)acetamide is sourced from PubChem (CID 17489433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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