4-chloro-N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-2-methoxybenzamide

C17H23ClN2O2 — CID 91795547

IUPAC4-chloro-N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-2-methoxybenzamide
SMILESCOc1cc(Cl)ccc1C(=O)NCCC12CCCN1CCC2
InChIInChI=1S/C17H23ClN2O2/c1-22-15-12-13(18)4-5-14(15)16(21)19-9-8-17-6-2-10-20(17)11-3-7-17/h4-5,12H,2-3,6-11H2,1H3,(H,19,21)
InChIKeyWQNIXTMOTRIKDD-UHFFFAOYSA-N
MW322.84 g/mol
LogP3.10
Rot. Bonds5

About 4-chloro-N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-2-methoxybenzamide

4-chloro-N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-2-methoxybenzamide (PubChem CID 91795547) has the molecular formula C17H23ClN2O2 and a molecular weight of 322.84 g/mol. Its IUPAC name is 4-chloro-N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-2-methoxybenzamide.

Molecular Properties

Compound Name4-chloro-N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-2-methoxybenzamide
PubChem CID91795547
Molecular FormulaC17H23ClN2O2
Molecular Weight322.84 g/mol
Exact Mass322.14
IUPAC Name4-chloro-N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-2-methoxybenzamide
SMILESCOc1cc(Cl)ccc1C(=O)NCCC12CCCN1CCC2
InChIInChI=1S/C17H23ClN2O2/c1-22-15-12-13(18)4-5-14(15)16(21)19-9-8-17-6-2-10-20(17)11-3-7-17/h4-5,12H,2-3,6-11H2,1H3,(H,19,21)
InChIKeyWQNIXTMOTRIKDD-UHFFFAOYSA-N
XLogP3.10
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-4-methoxy-3-methylbenzamide
CID 91790621
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CID 96541178
4-chloro-2-methoxy-N-[2-(1-methylpiperidin-3-yl)ethyl]benzamide
CID 56716852
1-[[(4-chloro-2-methoxybenzoyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115449594
2-[2-[(4-chloro-2-methoxybenzoyl)amino]ethylsulfanyl]acetic acid
CID 119242206
4-chloro-2-methoxy-N-[(E)-pent-3-enyl]benzamide
CID 113236443
4-chloro-N-[2-(2-hydroxyethoxy)ethyl]-2-methoxybenzamide
CID 62498440
N-(2-amino-2-oxoethyl)-4-chloro-2-methoxybenzamide
CID 63362049
5-chloro-2-methoxy-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 94885064
1-[(4-chloro-2-methoxybenzoyl)amino]cyclobutane-1-carboxylic acid
CID 81158312
4-chloro-N-(2-chloro-3-methylbutyl)-2-methoxybenzamide
CID 113492957
4-chloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-methoxybenzamide
CID 107301442

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-2-methoxybenzamide?
The IUPAC name of 4-chloro-N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-2-methoxybenzamide (CID 91795547) is 4-chloro-N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-2-methoxybenzamide.
What is the SMILES notation for 4-chloro-N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-2-methoxybenzamide?
The canonical SMILES for 4-chloro-N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-2-methoxybenzamide is COc1cc(Cl)ccc1C(=O)NCCC12CCCN1CCC2.
What is the InChIKey of 4-chloro-N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-2-methoxybenzamide?
The InChIKey is WQNIXTMOTRIKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O2/c1-22-15-12-13(18)4-5-14(15)16(21)19-9-8-17-6-2-10-20(17)11-3-7-17/h4-5,12H,2-3,6-11H2,1H3,(H,19,21).
What are the key properties of 4-chloro-N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-2-methoxybenzamide?
4-chloro-N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-2-methoxybenzamide has a molecular weight of 322.84 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-2-methoxybenzamide is sourced from PubChem (CID 91795547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).