N-[(1S)-1-cyclopropyl-2-[(5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]-2,2-difluoroacetamide

C14H20F2N2O2 — CID 167203607

IUPACN-[(1S)-1-cyclopropyl-2-[(5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]-2,2-difluoroacetamide
SMILESCC1(C)C2CN(C(=O)[C@@H](NC(=O)C(F)F)C3CC3)C[C@H]21
InChIInChI=1S/C14H20F2N2O2/c1-14(2)8-5-18(6-9(8)14)13(20)10(7-3-4-7)17-12(19)11(15)16/h7-11H,3-6H2,1-2H3,(H,17,19)/t8-,9?,10+/m1/s1
InChIKeyFDGLQMWAAHAUTI-FIBVVXLUSA-N
MW286.32 g/mol
LogP1.26
Rot. Bonds4

About N-[(1S)-1-cyclopropyl-2-[(5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]-2,2-difluoroacetamide

N-[(1S)-1-cyclopropyl-2-[(5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]-2,2-difluoroacetamide (PubChem CID 167203607) has the molecular formula C14H20F2N2O2 and a molecular weight of 286.32 g/mol. Its IUPAC name is N-[(1S)-1-cyclopropyl-2-[(5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-[(1S)-1-cyclopropyl-2-[(5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]-2,2-difluoroacetamide
PubChem CID167203607
Molecular FormulaC14H20F2N2O2
Molecular Weight286.32 g/mol
Exact Mass286.15
IUPAC NameN-[(1S)-1-cyclopropyl-2-[(5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]-2,2-difluoroacetamide
SMILESCC1(C)C2CN(C(=O)[C@@H](NC(=O)C(F)F)C3CC3)C[C@H]21
InChIInChI=1S/C14H20F2N2O2/c1-14(2)8-5-18(6-9(8)14)13(20)10(7-3-4-7)17-12(19)11(15)16/h7-11H,3-6H2,1-2H3,(H,17,19)/t8-,9?,10+/m1/s1
InChIKeyFDGLQMWAAHAUTI-FIBVVXLUSA-N
XLogP1.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclopropyl-2-[(5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]-2,2-difluoroacetamide?
The IUPAC name of N-[(1S)-1-cyclopropyl-2-[(5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]-2,2-difluoroacetamide (CID 167203607) is N-[(1S)-1-cyclopropyl-2-[(5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]-2,2-difluoroacetamide.
What is the SMILES notation for N-[(1S)-1-cyclopropyl-2-[(5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]-2,2-difluoroacetamide?
The canonical SMILES for N-[(1S)-1-cyclopropyl-2-[(5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]-2,2-difluoroacetamide is CC1(C)C2CN(C(=O)[C@@H](NC(=O)C(F)F)C3CC3)C[C@H]21.
What is the InChIKey of N-[(1S)-1-cyclopropyl-2-[(5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]-2,2-difluoroacetamide?
The InChIKey is FDGLQMWAAHAUTI-FIBVVXLUSA-N. The full InChI is InChI=1S/C14H20F2N2O2/c1-14(2)8-5-18(6-9(8)14)13(20)10(7-3-4-7)17-12(19)11(15)16/h7-11H,3-6H2,1-2H3,(H,17,19)/t8-,9?,10+/m1/s1.
What are the key properties of N-[(1S)-1-cyclopropyl-2-[(5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]-2,2-difluoroacetamide?
N-[(1S)-1-cyclopropyl-2-[(5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]-2,2-difluoroacetamide has a molecular weight of 286.32 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclopropyl-2-[(5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]-2,2-difluoroacetamide is sourced from PubChem (CID 167203607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).