2-[1-(2-chloro-6-fluorophenyl)ethylamino]-N-propan-2-ylacetamide

C13H18ClFN2O — CID 84599037

IUPAC2-[1-(2-chloro-6-fluorophenyl)ethylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNC(C)c1c(F)cccc1Cl
InChIInChI=1S/C13H18ClFN2O/c1-8(2)17-12(18)7-16-9(3)13-10(14)5-4-6-11(13)15/h4-6,8-9,16H,7H2,1-3H3,(H,17,18)
InChIKeyNVTGFNHYVLZOLT-UHFFFAOYSA-N
MW272.75 g/mol
LogP2.65
Rot. Bonds5

About 2-[1-(2-chloro-6-fluorophenyl)ethylamino]-N-propan-2-ylacetamide

2-[1-(2-chloro-6-fluorophenyl)ethylamino]-N-propan-2-ylacetamide (PubChem CID 84599037) has the molecular formula C13H18ClFN2O and a molecular weight of 272.75 g/mol. Its IUPAC name is 2-[1-(2-chloro-6-fluorophenyl)ethylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[1-(2-chloro-6-fluorophenyl)ethylamino]-N-propan-2-ylacetamide
PubChem CID84599037
Molecular FormulaC13H18ClFN2O
Molecular Weight272.75 g/mol
Exact Mass272.11
IUPAC Name2-[1-(2-chloro-6-fluorophenyl)ethylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNC(C)c1c(F)cccc1Cl
InChIInChI=1S/C13H18ClFN2O/c1-8(2)17-12(18)7-16-9(3)13-10(14)5-4-6-11(13)15/h4-6,8-9,16H,7H2,1-3H3,(H,17,18)
InChIKeyNVTGFNHYVLZOLT-UHFFFAOYSA-N
XLogP2.65
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.75
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chloro-6-fluorophenyl)ethylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[1-(2-chloro-6-fluorophenyl)ethylamino]-N-propan-2-ylacetamide (CID 84599037) is 2-[1-(2-chloro-6-fluorophenyl)ethylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[1-(2-chloro-6-fluorophenyl)ethylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[1-(2-chloro-6-fluorophenyl)ethylamino]-N-propan-2-ylacetamide is CC(C)NC(=O)CNC(C)c1c(F)cccc1Cl.
What is the InChIKey of 2-[1-(2-chloro-6-fluorophenyl)ethylamino]-N-propan-2-ylacetamide?
The InChIKey is NVTGFNHYVLZOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClFN2O/c1-8(2)17-12(18)7-16-9(3)13-10(14)5-4-6-11(13)15/h4-6,8-9,16H,7H2,1-3H3,(H,17,18).
What are the key properties of 2-[1-(2-chloro-6-fluorophenyl)ethylamino]-N-propan-2-ylacetamide?
2-[1-(2-chloro-6-fluorophenyl)ethylamino]-N-propan-2-ylacetamide has a molecular weight of 272.75 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chloro-6-fluorophenyl)ethylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 84599037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).