N-(8-azabicyclo[3.2.1]octan-3-yl)-2-[4-(difluoromethoxy)phenyl]acetamide

C16H20F2N2O2 — CID 119456975

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-2-[4-(difluoromethoxy)phenyl]acetamide
SMILESO=C(Cc1ccc(OC(F)F)cc1)NC1CC2CCC(C1)N2
InChIInChI=1S/C16H20F2N2O2/c17-16(18)22-14-5-1-10(2-6-14)7-15(21)20-13-8-11-3-4-12(9-13)19-11/h1-2,5-6,11-13,16,19H,3-4,7-9H2,(H,20,21)
InChIKeySBSGOCDQSBNKOU-UHFFFAOYSA-N
MW310.34 g/mol
LogP2.23
Rot. Bonds5

About N-(8-azabicyclo[3.2.1]octan-3-yl)-2-[4-(difluoromethoxy)phenyl]acetamide

N-(8-azabicyclo[3.2.1]octan-3-yl)-2-[4-(difluoromethoxy)phenyl]acetamide (PubChem CID 119456975) has the molecular formula C16H20F2N2O2 and a molecular weight of 310.34 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-2-[4-(difluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-2-[4-(difluoromethoxy)phenyl]acetamide
PubChem CID119456975
Molecular FormulaC16H20F2N2O2
Molecular Weight310.34 g/mol
Exact Mass310.15
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-2-[4-(difluoromethoxy)phenyl]acetamide
SMILESO=C(Cc1ccc(OC(F)F)cc1)NC1CC2CCC(C1)N2
InChIInChI=1S/C16H20F2N2O2/c17-16(18)22-14-5-1-10(2-6-14)7-15(21)20-13-8-11-3-4-12(9-13)19-11/h1-2,5-6,11-13,16,19H,3-4,7-9H2,(H,20,21)
InChIKeySBSGOCDQSBNKOU-UHFFFAOYSA-N
XLogP2.23
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.34
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(difluoromethoxy)phenyl]-N-piperidin-4-ylacetamide
CID 119387703
2-[4-(difluoromethoxy)phenyl]-N-pyrrolidin-3-ylacetamide
CID 119451451
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(difluoromethoxy)benzamide;hydrochloride
CID 119455893
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide;hydrochloride
CID 119681824
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(6-methyl-3-pyridinyl)acetamide
CID 119458332
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-propan-2-ylphenoxy)acetamide
CID 119458161
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(3-chlorophenyl)acetamide
CID 55084121
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-phenylmethoxyacetamide;hydrochloride
CID 119457057
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(difluoromethoxy)thiophene-2-carboxamide
CID 119459623
N-(2-amino-1-cyclohexylethyl)-2-[4-(difluoromethoxy)phenyl]acetamide;hydrochloride
CID 119590309
2-[4-(difluoromethoxy)phenyl]acetic acid
CID 2774127
N-(4-acetamidophenyl)-2-[4-(difluoromethoxy)phenyl]acetamide
CID 35049094

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-[4-(difluoromethoxy)phenyl]acetamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-[4-(difluoromethoxy)phenyl]acetamide (CID 119456975) is N-(8-azabicyclo[3.2.1]octan-3-yl)-2-[4-(difluoromethoxy)phenyl]acetamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-[4-(difluoromethoxy)phenyl]acetamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-[4-(difluoromethoxy)phenyl]acetamide is O=C(Cc1ccc(OC(F)F)cc1)NC1CC2CCC(C1)N2.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-[4-(difluoromethoxy)phenyl]acetamide?
The InChIKey is SBSGOCDQSBNKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N2O2/c17-16(18)22-14-5-1-10(2-6-14)7-15(21)20-13-8-11-3-4-12(9-13)19-11/h1-2,5-6,11-13,16,19H,3-4,7-9H2,(H,20,21).
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-[4-(difluoromethoxy)phenyl]acetamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-[4-(difluoromethoxy)phenyl]acetamide has a molecular weight of 310.34 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-[4-(difluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 119456975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).