4-fluoro-3-methoxy-N-(2,3,5,8-tetrahydro-1H-indolizin-8a-ylmethyl)benzamide

C17H21FN2O2 — CID 167885147

IUPAC4-fluoro-3-methoxy-N-(2,3,5,8-tetrahydro-1H-indolizin-8a-ylmethyl)benzamide
SMILESCOc1cc(C(=O)NCC23CC=CCN2CCC3)ccc1F
InChIInChI=1S/C17H21FN2O2/c1-22-15-11-13(5-6-14(15)18)16(21)19-12-17-7-2-3-9-20(17)10-4-8-17/h2-3,5-6,11H,4,7-10,12H2,1H3,(H,19,21)
InChIKeyAMOKQYBSZPSVBO-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.36
Rot. Bonds4

About 4-fluoro-3-methoxy-N-(2,3,5,8-tetrahydro-1H-indolizin-8a-ylmethyl)benzamide

4-fluoro-3-methoxy-N-(2,3,5,8-tetrahydro-1H-indolizin-8a-ylmethyl)benzamide (PubChem CID 167885147) has the molecular formula C17H21FN2O2 and a molecular weight of 304.37 g/mol. Its IUPAC name is 4-fluoro-3-methoxy-N-(2,3,5,8-tetrahydro-1H-indolizin-8a-ylmethyl)benzamide.

Molecular Properties

Compound Name4-fluoro-3-methoxy-N-(2,3,5,8-tetrahydro-1H-indolizin-8a-ylmethyl)benzamide
PubChem CID167885147
Molecular FormulaC17H21FN2O2
Molecular Weight304.37 g/mol
Exact Mass304.16
IUPAC Name4-fluoro-3-methoxy-N-(2,3,5,8-tetrahydro-1H-indolizin-8a-ylmethyl)benzamide
SMILESCOc1cc(C(=O)NCC23CC=CCN2CCC3)ccc1F
InChIInChI=1S/C17H21FN2O2/c1-22-15-11-13(5-6-14(15)18)16(21)19-12-17-7-2-3-9-20(17)10-4-8-17/h2-3,5-6,11H,4,7-10,12H2,1H3,(H,19,21)
InChIKeyAMOKQYBSZPSVBO-UHFFFAOYSA-N
XLogP2.36
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-4-methoxy-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide
CID 17446987
3-fluoro-4-methoxy-N-[(1-morpholin-4-ylcyclobutyl)methyl]benzamide
CID 139028774
N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-4-methoxy-3-methylbenzamide
CID 91790621
2-fluoro-6-methoxy-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]benzamide
CID 91770086
N-(2-bromoethyl)-4-fluoro-3-methoxybenzamide
CID 81284787
N-[1-(bromomethyl)cyclohexyl]-4-fluoro-3-methoxybenzamide
CID 114314064
2-[1-[[(3-fluoro-4-methoxybenzoyl)amino]methyl]cyclobutyl]acetic acid
CID 81164326
4-fluoro-3-methoxy-N-prop-2-enylbenzamide
CID 80948629
4-fluoro-N-[2-(2-hydroxyethoxy)ethyl]-3-methoxybenzamide
CID 81284195
3-fluoro-4-methoxy-N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]benzamide
CID 146075050
3,4-dimethoxy-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]benzamide
CID 112505028
N-(3-bromopropyl)-4-fluoro-3-methoxybenzamide
CID 81284858

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methoxy-N-(2,3,5,8-tetrahydro-1H-indolizin-8a-ylmethyl)benzamide?
The IUPAC name of 4-fluoro-3-methoxy-N-(2,3,5,8-tetrahydro-1H-indolizin-8a-ylmethyl)benzamide (CID 167885147) is 4-fluoro-3-methoxy-N-(2,3,5,8-tetrahydro-1H-indolizin-8a-ylmethyl)benzamide.
What is the SMILES notation for 4-fluoro-3-methoxy-N-(2,3,5,8-tetrahydro-1H-indolizin-8a-ylmethyl)benzamide?
The canonical SMILES for 4-fluoro-3-methoxy-N-(2,3,5,8-tetrahydro-1H-indolizin-8a-ylmethyl)benzamide is COc1cc(C(=O)NCC23CC=CCN2CCC3)ccc1F.
What is the InChIKey of 4-fluoro-3-methoxy-N-(2,3,5,8-tetrahydro-1H-indolizin-8a-ylmethyl)benzamide?
The InChIKey is AMOKQYBSZPSVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O2/c1-22-15-11-13(5-6-14(15)18)16(21)19-12-17-7-2-3-9-20(17)10-4-8-17/h2-3,5-6,11H,4,7-10,12H2,1H3,(H,19,21).
What are the key properties of 4-fluoro-3-methoxy-N-(2,3,5,8-tetrahydro-1H-indolizin-8a-ylmethyl)benzamide?
4-fluoro-3-methoxy-N-(2,3,5,8-tetrahydro-1H-indolizin-8a-ylmethyl)benzamide has a molecular weight of 304.37 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methoxy-N-(2,3,5,8-tetrahydro-1H-indolizin-8a-ylmethyl)benzamide is sourced from PubChem (CID 167885147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).