N-(2-amino-2-oxoethyl)-2-(2-chloro-6-fluorophenyl)-N-propan-2-ylacetamide

C13H16ClFN2O2 — CID 2549240

IUPACN-(2-amino-2-oxoethyl)-2-(2-chloro-6-fluorophenyl)-N-propan-2-ylacetamide
SMILESCC(C)N(CC(N)=O)C(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C13H16ClFN2O2/c1-8(2)17(7-12(16)18)13(19)6-9-10(14)4-3-5-11(9)15/h3-5,8H,6-7H2,1-2H3,(H2,16,18)
InChIKeyGFJLPRXFKYEDPV-UHFFFAOYSA-N
MW286.73 g/mol
LogP1.74
Rot. Bonds5

About N-(2-amino-2-oxoethyl)-2-(2-chloro-6-fluorophenyl)-N-propan-2-ylacetamide

N-(2-amino-2-oxoethyl)-2-(2-chloro-6-fluorophenyl)-N-propan-2-ylacetamide (PubChem CID 2549240) has the molecular formula C13H16ClFN2O2 and a molecular weight of 286.73 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-2-(2-chloro-6-fluorophenyl)-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-2-(2-chloro-6-fluorophenyl)-N-propan-2-ylacetamide
PubChem CID2549240
Molecular FormulaC13H16ClFN2O2
Molecular Weight286.73 g/mol
Exact Mass286.09
IUPAC NameN-(2-amino-2-oxoethyl)-2-(2-chloro-6-fluorophenyl)-N-propan-2-ylacetamide
SMILESCC(C)N(CC(N)=O)C(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C13H16ClFN2O2/c1-8(2)17(7-12(16)18)13(19)6-9-10(14)4-3-5-11(9)15/h3-5,8H,6-7H2,1-2H3,(H2,16,18)
InChIKeyGFJLPRXFKYEDPV-UHFFFAOYSA-N
XLogP1.74
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.73
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-2-(2-chloro-6-fluorophenyl)-N-propan-2-ylacetamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-2-(2-chloro-6-fluorophenyl)-N-propan-2-ylacetamide (CID 2549240) is N-(2-amino-2-oxoethyl)-2-(2-chloro-6-fluorophenyl)-N-propan-2-ylacetamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-2-(2-chloro-6-fluorophenyl)-N-propan-2-ylacetamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-2-(2-chloro-6-fluorophenyl)-N-propan-2-ylacetamide is CC(C)N(CC(N)=O)C(=O)Cc1c(F)cccc1Cl.
What is the InChIKey of N-(2-amino-2-oxoethyl)-2-(2-chloro-6-fluorophenyl)-N-propan-2-ylacetamide?
The InChIKey is GFJLPRXFKYEDPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClFN2O2/c1-8(2)17(7-12(16)18)13(19)6-9-10(14)4-3-5-11(9)15/h3-5,8H,6-7H2,1-2H3,(H2,16,18).
What are the key properties of N-(2-amino-2-oxoethyl)-2-(2-chloro-6-fluorophenyl)-N-propan-2-ylacetamide?
N-(2-amino-2-oxoethyl)-2-(2-chloro-6-fluorophenyl)-N-propan-2-ylacetamide has a molecular weight of 286.73 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-2-(2-chloro-6-fluorophenyl)-N-propan-2-ylacetamide is sourced from PubChem (CID 2549240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).