N-[2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl(phenyl)methyl]-2-chloro-3-methoxybenzamide

C24H29ClN2O2 — CID 68855859

IUPACN-[2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl(phenyl)methyl]-2-chloro-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NC(c2ccccc2)C2CCCC3CCCCN32)c1Cl
InChIInChI=1S/C24H29ClN2O2/c1-29-21-15-8-13-19(22(21)25)24(28)26-23(17-9-3-2-4-10-17)20-14-7-12-18-11-5-6-16-27(18)20/h2-4,8-10,13,15,18,20,23H,5-7,11-12,14,16H2,1H3,(H,26,28)
InChIKeyZXGKFGRKVQMOMO-UHFFFAOYSA-N
MW412.96 g/mol
LogP5.23
Rot. Bonds5

About N-[2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl(phenyl)methyl]-2-chloro-3-methoxybenzamide

N-[2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl(phenyl)methyl]-2-chloro-3-methoxybenzamide (PubChem CID 68855859) has the molecular formula C24H29ClN2O2 and a molecular weight of 412.96 g/mol. Its IUPAC name is N-[2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl(phenyl)methyl]-2-chloro-3-methoxybenzamide.

Molecular Properties

Compound NameN-[2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl(phenyl)methyl]-2-chloro-3-methoxybenzamide
PubChem CID68855859
Molecular FormulaC24H29ClN2O2
Molecular Weight412.96 g/mol
Exact Mass412.19
IUPAC NameN-[2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl(phenyl)methyl]-2-chloro-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NC(c2ccccc2)C2CCCC3CCCCN32)c1Cl
InChIInChI=1S/C24H29ClN2O2/c1-29-21-15-8-13-19(22(21)25)24(28)26-23(17-9-3-2-4-10-17)20-14-7-12-18-11-5-6-16-27(18)20/h2-4,8-10,13,15,18,20,23H,5-7,11-12,14,16H2,1H3,(H,26,28)
InChIKeyZXGKFGRKVQMOMO-UHFFFAOYSA-N
XLogP5.23
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.96
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl(phenyl)methyl]-2-chloro-3-methoxybenzamide with MolForge

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Related Compounds

N-[(R)-[(3R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl]-phenylmethyl]-2-chloro-3-(trifluoromethyl)benzamide;hydrochloride
CID 24762225
2,3-dichloro-N-[(S)-[(2S)-1-methylazepan-2-yl]-phenylmethyl]benzamide
CID 129152159
2-chloro-N-[2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl(phenyl)methyl]-3-(trifluoromethyl)benzamide
CID 24984765
N-[2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl(pyridin-3-yl)methyl]-2-chloro-3-(trifluoromethyl)benzamide;hydrochloride
CID 24984601
N-[1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl(phenyl)methyl]-2-methyl-3-(trifluoromethyl)benzamide
CID 24984434
2,3-dichloro-N-[(S)-phenyl-[(2S)-1-prop-2-enylpiperidin-2-yl]methyl]benzamide
CID 67165261
2,5-dichloro-N-[(S)-[(2S)-1-methylpiperidin-2-yl]-phenylmethyl]thiophene-3-carboxamide
CID 11339141
2-chloro-N-[(S)-[(2R,6R)-1,6-dimethylpiperidin-2-yl]-phenylmethyl]-3-(trifluoromethyl)benzamide
CID 11998344
[3-[[[2-chloro-3-(trifluoromethyl)benzoyl]amino]-[(2S)-1-methylpiperidin-2-yl]methyl]phenyl] trifluoromethanesulfonate
CID 87727068
N-[2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl-(4-fluorophenyl)methyl]-2,6-dichloro-3-(trifluoromethyl)benzamide;hydrochloride
CID 159943930
2-chloro-N-[(1-methylpiperidin-2-yl)-thiophen-3-ylmethyl]-3-(trifluoromethyl)benzamide
CID 11408387
2-chloro-N-(2-chlorophenyl)-3-methoxybenzamide
CID 45051392

Frequently Asked Questions

What is the IUPAC name of N-[2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl(phenyl)methyl]-2-chloro-3-methoxybenzamide?
The IUPAC name of N-[2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl(phenyl)methyl]-2-chloro-3-methoxybenzamide (CID 68855859) is N-[2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl(phenyl)methyl]-2-chloro-3-methoxybenzamide.
What is the SMILES notation for N-[2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl(phenyl)methyl]-2-chloro-3-methoxybenzamide?
The canonical SMILES for N-[2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl(phenyl)methyl]-2-chloro-3-methoxybenzamide is COc1cccc(C(=O)NC(c2ccccc2)C2CCCC3CCCCN32)c1Cl.
What is the InChIKey of N-[2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl(phenyl)methyl]-2-chloro-3-methoxybenzamide?
The InChIKey is ZXGKFGRKVQMOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN2O2/c1-29-21-15-8-13-19(22(21)25)24(28)26-23(17-9-3-2-4-10-17)20-14-7-12-18-11-5-6-16-27(18)20/h2-4,8-10,13,15,18,20,23H,5-7,11-12,14,16H2,1H3,(H,26,28).
What are the key properties of N-[2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl(phenyl)methyl]-2-chloro-3-methoxybenzamide?
N-[2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl(phenyl)methyl]-2-chloro-3-methoxybenzamide has a molecular weight of 412.96 g/mol, XLogP of 5.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl(phenyl)methyl]-2-chloro-3-methoxybenzamide is sourced from PubChem (CID 68855859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).