2-amino-N-[2-(2-chloro-6-fluorophenyl)-2-methylpropyl]-2-(oxan-4-yl)acetamide

C17H24ClFN2O2 — CID 120792506

IUPAC2-amino-N-[2-(2-chloro-6-fluorophenyl)-2-methylpropyl]-2-(oxan-4-yl)acetamide
SMILESCC(C)(CNC(=O)C(N)C1CCOCC1)c1c(F)cccc1Cl
InChIInChI=1S/C17H24ClFN2O2/c1-17(2,14-12(18)4-3-5-13(14)19)10-21-16(22)15(20)11-6-8-23-9-7-11/h3-5,11,15H,6-10,20H2,1-2H3,(H,21,22)
InChIKeyPRWZJLAHFRXPJM-UHFFFAOYSA-N
MW342.84 g/mol
LogP2.63
Rot. Bonds5

About 2-amino-N-[2-(2-chloro-6-fluorophenyl)-2-methylpropyl]-2-(oxan-4-yl)acetamide

2-amino-N-[2-(2-chloro-6-fluorophenyl)-2-methylpropyl]-2-(oxan-4-yl)acetamide (PubChem CID 120792506) has the molecular formula C17H24ClFN2O2 and a molecular weight of 342.84 g/mol. Its IUPAC name is 2-amino-N-[2-(2-chloro-6-fluorophenyl)-2-methylpropyl]-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-[2-(2-chloro-6-fluorophenyl)-2-methylpropyl]-2-(oxan-4-yl)acetamide
PubChem CID120792506
Molecular FormulaC17H24ClFN2O2
Molecular Weight342.84 g/mol
Exact Mass342.15
IUPAC Name2-amino-N-[2-(2-chloro-6-fluorophenyl)-2-methylpropyl]-2-(oxan-4-yl)acetamide
SMILESCC(C)(CNC(=O)C(N)C1CCOCC1)c1c(F)cccc1Cl
InChIInChI=1S/C17H24ClFN2O2/c1-17(2,14-12(18)4-3-5-13(14)19)10-21-16(22)15(20)11-6-8-23-9-7-11/h3-5,11,15H,6-10,20H2,1-2H3,(H,21,22)
InChIKeyPRWZJLAHFRXPJM-UHFFFAOYSA-N
XLogP2.63
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.84
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(2-chloro-6-fluorophenyl)-2-methylpropyl]-2-(oxan-4-yl)acetamide?
The IUPAC name of 2-amino-N-[2-(2-chloro-6-fluorophenyl)-2-methylpropyl]-2-(oxan-4-yl)acetamide (CID 120792506) is 2-amino-N-[2-(2-chloro-6-fluorophenyl)-2-methylpropyl]-2-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-amino-N-[2-(2-chloro-6-fluorophenyl)-2-methylpropyl]-2-(oxan-4-yl)acetamide?
The canonical SMILES for 2-amino-N-[2-(2-chloro-6-fluorophenyl)-2-methylpropyl]-2-(oxan-4-yl)acetamide is CC(C)(CNC(=O)C(N)C1CCOCC1)c1c(F)cccc1Cl.
What is the InChIKey of 2-amino-N-[2-(2-chloro-6-fluorophenyl)-2-methylpropyl]-2-(oxan-4-yl)acetamide?
The InChIKey is PRWZJLAHFRXPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClFN2O2/c1-17(2,14-12(18)4-3-5-13(14)19)10-21-16(22)15(20)11-6-8-23-9-7-11/h3-5,11,15H,6-10,20H2,1-2H3,(H,21,22).
What are the key properties of 2-amino-N-[2-(2-chloro-6-fluorophenyl)-2-methylpropyl]-2-(oxan-4-yl)acetamide?
2-amino-N-[2-(2-chloro-6-fluorophenyl)-2-methylpropyl]-2-(oxan-4-yl)acetamide has a molecular weight of 342.84 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(2-chloro-6-fluorophenyl)-2-methylpropyl]-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 120792506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).