2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[1-(3,5-difluorophenyl)cyclopropyl]acetamide

C17H20F2N2O — CID 118773312

IUPAC2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[1-(3,5-difluorophenyl)cyclopropyl]acetamide
SMILESO=C(CN1C[C@@H]2CC[C@H]1C2)NC1(c2cc(F)cc(F)c2)CC1
InChIInChI=1S/C17H20F2N2O/c18-13-6-12(7-14(19)8-13)17(3-4-17)20-16(22)10-21-9-11-1-2-15(21)5-11/h6-8,11,15H,1-5,9-10H2,(H,20,22)/t11-,15+/m1/s1
InChIKeyHUWJZGHTHLOCNA-ABAIWWIYSA-N
MW306.36 g/mol
LogP2.55
Rot. Bonds4

About 2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[1-(3,5-difluorophenyl)cyclopropyl]acetamide

2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[1-(3,5-difluorophenyl)cyclopropyl]acetamide (PubChem CID 118773312) has the molecular formula C17H20F2N2O and a molecular weight of 306.36 g/mol. Its IUPAC name is 2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[1-(3,5-difluorophenyl)cyclopropyl]acetamide.

Molecular Properties

Compound Name2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[1-(3,5-difluorophenyl)cyclopropyl]acetamide
PubChem CID118773312
Molecular FormulaC17H20F2N2O
Molecular Weight306.36 g/mol
Exact Mass306.15
IUPAC Name2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[1-(3,5-difluorophenyl)cyclopropyl]acetamide
SMILESO=C(CN1C[C@@H]2CC[C@H]1C2)NC1(c2cc(F)cc(F)c2)CC1
InChIInChI=1S/C17H20F2N2O/c18-13-6-12(7-14(19)8-13)17(3-4-17)20-16(22)10-21-9-11-1-2-15(21)5-11/h6-8,11,15H,1-5,9-10H2,(H,20,22)/t11-,15+/m1/s1
InChIKeyHUWJZGHTHLOCNA-ABAIWWIYSA-N
XLogP2.55
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[1-(3,5-difluorophenyl)cyclopropyl]acetamide?
The IUPAC name of 2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[1-(3,5-difluorophenyl)cyclopropyl]acetamide (CID 118773312) is 2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[1-(3,5-difluorophenyl)cyclopropyl]acetamide.
What is the SMILES notation for 2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[1-(3,5-difluorophenyl)cyclopropyl]acetamide?
The canonical SMILES for 2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[1-(3,5-difluorophenyl)cyclopropyl]acetamide is O=C(CN1C[C@@H]2CC[C@H]1C2)NC1(c2cc(F)cc(F)c2)CC1.
What is the InChIKey of 2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[1-(3,5-difluorophenyl)cyclopropyl]acetamide?
The InChIKey is HUWJZGHTHLOCNA-ABAIWWIYSA-N. The full InChI is InChI=1S/C17H20F2N2O/c18-13-6-12(7-14(19)8-13)17(3-4-17)20-16(22)10-21-9-11-1-2-15(21)5-11/h6-8,11,15H,1-5,9-10H2,(H,20,22)/t11-,15+/m1/s1.
What are the key properties of 2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[1-(3,5-difluorophenyl)cyclopropyl]acetamide?
2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[1-(3,5-difluorophenyl)cyclopropyl]acetamide has a molecular weight of 306.36 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[1-(3,5-difluorophenyl)cyclopropyl]acetamide is sourced from PubChem (CID 118773312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).