N-(2-amino-2-oxoethyl)-2,2-difluoro-3-methyl-N-propan-2-ylcyclopropane-1-carboxamide

C10H16F2N2O2 — CID 136531532

IUPACN-(2-amino-2-oxoethyl)-2,2-difluoro-3-methyl-N-propan-2-ylcyclopropane-1-carboxamide
SMILESCC(C)N(CC(N)=O)C(=O)C1C(C)C1(F)F
InChIInChI=1S/C10H16F2N2O2/c1-5(2)14(4-7(13)15)9(16)8-6(3)10(8,11)12/h5-6,8H,4H2,1-3H3,(H2,13,15)
InChIKeyXYMCFOHDZLJHJI-UHFFFAOYSA-N
MW234.25 g/mol
LogP0.61
Rot. Bonds4

About N-(2-amino-2-oxoethyl)-2,2-difluoro-3-methyl-N-propan-2-ylcyclopropane-1-carboxamide

N-(2-amino-2-oxoethyl)-2,2-difluoro-3-methyl-N-propan-2-ylcyclopropane-1-carboxamide (PubChem CID 136531532) has the molecular formula C10H16F2N2O2 and a molecular weight of 234.25 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-2,2-difluoro-3-methyl-N-propan-2-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-2,2-difluoro-3-methyl-N-propan-2-ylcyclopropane-1-carboxamide
PubChem CID136531532
Molecular FormulaC10H16F2N2O2
Molecular Weight234.25 g/mol
Exact Mass234.12
IUPAC NameN-(2-amino-2-oxoethyl)-2,2-difluoro-3-methyl-N-propan-2-ylcyclopropane-1-carboxamide
SMILESCC(C)N(CC(N)=O)C(=O)C1C(C)C1(F)F
InChIInChI=1S/C10H16F2N2O2/c1-5(2)14(4-7(13)15)9(16)8-6(3)10(8,11)12/h5-6,8H,4H2,1-3H3,(H2,13,15)
InChIKeyXYMCFOHDZLJHJI-UHFFFAOYSA-N
XLogP0.61
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.61
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-difluoro-3-methyl-N-propan-2-ylcyclopropane-1-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-2,2-difluoro-3-methyl-N-propan-2-ylcyclopropane-1-carboxamide (CID 136531532) is N-(2-amino-2-oxoethyl)-2,2-difluoro-3-methyl-N-propan-2-ylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-2,2-difluoro-3-methyl-N-propan-2-ylcyclopropane-1-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-2,2-difluoro-3-methyl-N-propan-2-ylcyclopropane-1-carboxamide is CC(C)N(CC(N)=O)C(=O)C1C(C)C1(F)F.
What is the InChIKey of N-(2-amino-2-oxoethyl)-2,2-difluoro-3-methyl-N-propan-2-ylcyclopropane-1-carboxamide?
The InChIKey is XYMCFOHDZLJHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N2O2/c1-5(2)14(4-7(13)15)9(16)8-6(3)10(8,11)12/h5-6,8H,4H2,1-3H3,(H2,13,15).
What are the key properties of N-(2-amino-2-oxoethyl)-2,2-difluoro-3-methyl-N-propan-2-ylcyclopropane-1-carboxamide?
N-(2-amino-2-oxoethyl)-2,2-difluoro-3-methyl-N-propan-2-ylcyclopropane-1-carboxamide has a molecular weight of 234.25 g/mol, XLogP of 0.61, 4 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-difluoro-3-methyl-N-propan-2-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 136531532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).