2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,5-difluoro-4-methoxyphenyl)acetamide

C16H20F2N2O2 — CID 119812874

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,5-difluoro-4-methoxyphenyl)acetamide
SMILESCOc1cc(F)c(NC(=O)CC2CC3CCC(C2)N3)cc1F
InChIInChI=1S/C16H20F2N2O2/c1-22-15-8-12(17)14(7-13(15)18)20-16(21)6-9-4-10-2-3-11(5-9)19-10/h7-11,19H,2-6H2,1H3,(H,20,21)
InChIKeyGGHPCZBEFILFAF-UHFFFAOYSA-N
MW310.34 g/mol
LogP2.83
Rot. Bonds4

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,5-difluoro-4-methoxyphenyl)acetamide

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,5-difluoro-4-methoxyphenyl)acetamide (PubChem CID 119812874) has the molecular formula C16H20F2N2O2 and a molecular weight of 310.34 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,5-difluoro-4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,5-difluoro-4-methoxyphenyl)acetamide
PubChem CID119812874
Molecular FormulaC16H20F2N2O2
Molecular Weight310.34 g/mol
Exact Mass310.15
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,5-difluoro-4-methoxyphenyl)acetamide
SMILESCOc1cc(F)c(NC(=O)CC2CC3CCC(C2)N3)cc1F
InChIInChI=1S/C16H20F2N2O2/c1-22-15-8-12(17)14(7-13(15)18)20-16(21)6-9-4-10-2-3-11(5-9)19-10/h7-11,19H,2-6H2,1H3,(H,20,21)
InChIKeyGGHPCZBEFILFAF-UHFFFAOYSA-N
XLogP2.83
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.34
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,5-difluoro-4-methoxyphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,5-dimethoxyphenyl)acetamide;hydrochloride
CID 119674276
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(5-bromo-2-fluorophenyl)acetamide
CID 79607339
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-ethoxy-4-fluorophenyl)acetamide
CID 119718548
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]acetamide;hydrochloride
CID 119774842
N-(3-acetamido-4-fluorophenyl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide;hydrochloride
CID 119702837
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(5-fluoro-2-propan-2-yloxyphenyl)acetamide;hydrochloride
CID 119770221
N-(2-acetamido-5-methoxyphenyl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide;hydrochloride
CID 119711092
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(cyclopropylmethoxy)-4-fluorophenyl]acetamide
CID 119800663
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3,4,5-trifluorophenyl)acetamide;hydrochloride
CID 119708006
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-fluoro-2-propoxyphenyl)acetamide
CID 119815179
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-ethoxy-3-methoxyphenyl)acetamide
CID 119688395
2-[(2,5-difluoro-4-methoxyphenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120977022

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,5-difluoro-4-methoxyphenyl)acetamide?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,5-difluoro-4-methoxyphenyl)acetamide (CID 119812874) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,5-difluoro-4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,5-difluoro-4-methoxyphenyl)acetamide?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,5-difluoro-4-methoxyphenyl)acetamide is COc1cc(F)c(NC(=O)CC2CC3CCC(C2)N3)cc1F.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,5-difluoro-4-methoxyphenyl)acetamide?
The InChIKey is GGHPCZBEFILFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N2O2/c1-22-15-8-12(17)14(7-13(15)18)20-16(21)6-9-4-10-2-3-11(5-9)19-10/h7-11,19H,2-6H2,1H3,(H,20,21).
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,5-difluoro-4-methoxyphenyl)acetamide?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,5-difluoro-4-methoxyphenyl)acetamide has a molecular weight of 310.34 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,5-difluoro-4-methoxyphenyl)acetamide is sourced from PubChem (CID 119812874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).