N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-3,4-difluorobenzamide

C16H20F2N2O — CID 61231707

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-3,4-difluorobenzamide
SMILESCCN(C(=O)c1ccc(F)c(F)c1)C1CC2CCC(C1)N2
InChIInChI=1S/C16H20F2N2O/c1-2-20(13-8-11-4-5-12(9-13)19-11)16(21)10-3-6-14(17)15(18)7-10/h3,6-7,11-13,19H,2,4-5,8-9H2,1H3
InChIKeyDLBJFFKYJGKKLE-UHFFFAOYSA-N
MW294.34 g/mol
LogP2.71
Rot. Bonds3

About N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-3,4-difluorobenzamide

N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-3,4-difluorobenzamide (PubChem CID 61231707) has the molecular formula C16H20F2N2O and a molecular weight of 294.34 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-3,4-difluorobenzamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-3,4-difluorobenzamide
PubChem CID61231707
Molecular FormulaC16H20F2N2O
Molecular Weight294.34 g/mol
Exact Mass294.15
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-3,4-difluorobenzamide
SMILESCCN(C(=O)c1ccc(F)c(F)c1)C1CC2CCC(C1)N2
InChIInChI=1S/C16H20F2N2O/c1-2-20(13-8-11-4-5-12(9-13)19-11)16(21)10-3-6-14(17)15(18)7-10/h3,6-7,11-13,19H,2,4-5,8-9H2,1H3
InChIKeyDLBJFFKYJGKKLE-UHFFFAOYSA-N
XLogP2.71
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-3,4-difluorobenzamide 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

N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-3,4-dimethylbenzamide
CID 61231900
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethylpyridine-4-carboxamide
CID 61230749
N-cyclopropyl-4-(3,4-difluorophenyl)-N-ethylbenzamide
CID 119065438
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-fluoro-N-propylbenzamide
CID 61232094
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-chloro-4-fluoro-N-methylbenzamide
CID 82879416
N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-3-bromo-4-fluoro-N-methylbenzamide
CID 100657836
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethylpyridine-2-carboxamide
CID 61230562
N-cyclopentyl-N-ethyl-3-fluoro-4-methoxybenzamide
CID 86926983
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-5-methylfuran-2-carboxamide
CID 61231129
ethyl 2-[cyclopropyl-(3,4-difluorobenzoyl)amino]acetate
CID 61410094
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-iodo-N-propylbenzamide
CID 61233054
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-bromo-N-ethylbenzamide
CID 61230371

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-3,4-difluorobenzamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-3,4-difluorobenzamide (CID 61231707) is N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-3,4-difluorobenzamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-3,4-difluorobenzamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-3,4-difluorobenzamide is CCN(C(=O)c1ccc(F)c(F)c1)C1CC2CCC(C1)N2.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-3,4-difluorobenzamide?
The InChIKey is DLBJFFKYJGKKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N2O/c1-2-20(13-8-11-4-5-12(9-13)19-11)16(21)10-3-6-14(17)15(18)7-10/h3,6-7,11-13,19H,2,4-5,8-9H2,1H3.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-3,4-difluorobenzamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-3,4-difluorobenzamide has a molecular weight of 294.34 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-3,4-difluorobenzamide is sourced from PubChem (CID 61231707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).