N-[8-(2,4-dimethoxybenzoyl)-8-azabicyclo[3.2.1]octan-3-yl]-4-fluorobenzamide

C23H25FN2O4 — CID 156610369

IUPACN-[8-(2,4-dimethoxybenzoyl)-8-azabicyclo[3.2.1]octan-3-yl]-4-fluorobenzamide
SMILESCOc1ccc(C(=O)N2C3CCC2CC(NC(=O)c2ccc(F)cc2)C3)c(OC)c1
InChIInChI=1S/C23H25FN2O4/c1-29-19-9-10-20(21(13-19)30-2)23(28)26-17-7-8-18(26)12-16(11-17)25-22(27)14-3-5-15(24)6-4-14/h3-6,9-10,13,16-18H,7-8,11-12H2,1-2H3,(H,25,27)
InChIKeyUHEPVGCFTHOITL-UHFFFAOYSA-N
MW412.46 g/mol
LogP3.41
Rot. Bonds5

About N-[8-(2,4-dimethoxybenzoyl)-8-azabicyclo[3.2.1]octan-3-yl]-4-fluorobenzamide

N-[8-(2,4-dimethoxybenzoyl)-8-azabicyclo[3.2.1]octan-3-yl]-4-fluorobenzamide (PubChem CID 156610369) has the molecular formula C23H25FN2O4 and a molecular weight of 412.46 g/mol. Its IUPAC name is N-[8-(2,4-dimethoxybenzoyl)-8-azabicyclo[3.2.1]octan-3-yl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[8-(2,4-dimethoxybenzoyl)-8-azabicyclo[3.2.1]octan-3-yl]-4-fluorobenzamide
PubChem CID156610369
Molecular FormulaC23H25FN2O4
Molecular Weight412.46 g/mol
Exact Mass412.18
IUPAC NameN-[8-(2,4-dimethoxybenzoyl)-8-azabicyclo[3.2.1]octan-3-yl]-4-fluorobenzamide
SMILESCOc1ccc(C(=O)N2C3CCC2CC(NC(=O)c2ccc(F)cc2)C3)c(OC)c1
InChIInChI=1S/C23H25FN2O4/c1-29-19-9-10-20(21(13-19)30-2)23(28)26-17-7-8-18(26)12-16(11-17)25-22(27)14-3-5-15(24)6-4-14/h3-6,9-10,13,16-18H,7-8,11-12H2,1-2H3,(H,25,27)
InChIKeyUHEPVGCFTHOITL-UHFFFAOYSA-N
XLogP3.41
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.46
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[8-(2,4-dimethoxybenzoyl)-8-azabicyclo[3.2.1]octan-3-yl]-4-fluorobenzamide 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-[(1R,5S)-8-(2,4-dimethoxybenzoyl)-8-azabicyclo[3.2.1]octan-3-yl]pyridine-4-carboxamide
CID 91912256
N-[(1S,5R)-8-(2,3-dimethoxybenzoyl)-8-azabicyclo[3.2.1]octan-3-yl]-4-fluorobenzamide
CID 91924414
3-[(4-fluorobenzoyl)amino]-N-(4-methoxy-2-methylphenyl)-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 156610191
4-fluoro-N-[(1R,5S)-8-[3-(4-methoxyphenyl)propanoyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide
CID 91912162
N-[(1S,5R)-8-(3-fluoro-4-methoxybenzoyl)-8-azabicyclo[3.2.1]octan-3-yl]pyridine-4-carboxamide
CID 91912326
[1-(2,4-dimethoxybenzoyl)piperidin-4-yl]-(4-fluorophenyl)methanone
CID 46906356
N-[1-(2,4-dimethoxyphenyl)ethylideneamino]-4-fluorobenzamide
CID 78596498
N-cyclopropyl-2,4-dimethoxybenzamide
CID 4576292
N-cyclopentyl-3-[(4-fluorobenzoyl)amino]-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 156610411
N-[(1R,5S)-8-(1-ethylpyrazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-4-fluorobenzamide
CID 91912186
N-[(1R,5S)-8-(3,4,5-trimethoxybenzoyl)-8-azabicyclo[3.2.1]octan-3-yl]pyridine-4-carboxamide
CID 91912344
(2,4-dimethoxyphenyl)-[3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone
CID 154884017

Frequently Asked Questions

What is the IUPAC name of N-[8-(2,4-dimethoxybenzoyl)-8-azabicyclo[3.2.1]octan-3-yl]-4-fluorobenzamide?
The IUPAC name of N-[8-(2,4-dimethoxybenzoyl)-8-azabicyclo[3.2.1]octan-3-yl]-4-fluorobenzamide (CID 156610369) is N-[8-(2,4-dimethoxybenzoyl)-8-azabicyclo[3.2.1]octan-3-yl]-4-fluorobenzamide.
What is the SMILES notation for N-[8-(2,4-dimethoxybenzoyl)-8-azabicyclo[3.2.1]octan-3-yl]-4-fluorobenzamide?
The canonical SMILES for N-[8-(2,4-dimethoxybenzoyl)-8-azabicyclo[3.2.1]octan-3-yl]-4-fluorobenzamide is COc1ccc(C(=O)N2C3CCC2CC(NC(=O)c2ccc(F)cc2)C3)c(OC)c1.
What is the InChIKey of N-[8-(2,4-dimethoxybenzoyl)-8-azabicyclo[3.2.1]octan-3-yl]-4-fluorobenzamide?
The InChIKey is UHEPVGCFTHOITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O4/c1-29-19-9-10-20(21(13-19)30-2)23(28)26-17-7-8-18(26)12-16(11-17)25-22(27)14-3-5-15(24)6-4-14/h3-6,9-10,13,16-18H,7-8,11-12H2,1-2H3,(H,25,27).
What are the key properties of N-[8-(2,4-dimethoxybenzoyl)-8-azabicyclo[3.2.1]octan-3-yl]-4-fluorobenzamide?
N-[8-(2,4-dimethoxybenzoyl)-8-azabicyclo[3.2.1]octan-3-yl]-4-fluorobenzamide has a molecular weight of 412.46 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-(2,4-dimethoxybenzoyl)-8-azabicyclo[3.2.1]octan-3-yl]-4-fluorobenzamide is sourced from PubChem (CID 156610369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).