4-amino-5-chloro-2-methoxy-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide

C16H22ClN3O2 — CID 19766291

IUPAC4-amino-5-chloro-2-methoxy-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide
SMILESCOc1cc(N)c(Cl)cc1C(=O)NC1C2CCN(CC2)C1C
InChIInChI=1S/C16H22ClN3O2/c1-9-15(10-3-5-20(9)6-4-10)19-16(21)11-7-12(17)13(18)8-14(11)22-2/h7-10,15H,3-6,18H2,1-2H3,(H,19,21)
InChIKeyJLUMIIXDSABYLH-UHFFFAOYSA-N
MW323.82 g/mol
LogP2.14
Rot. Bonds3

About 4-amino-5-chloro-2-methoxy-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide

4-amino-5-chloro-2-methoxy-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide (PubChem CID 19766291) has the molecular formula C16H22ClN3O2 and a molecular weight of 323.82 g/mol. Its IUPAC name is 4-amino-5-chloro-2-methoxy-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide.

Molecular Properties

Compound Name4-amino-5-chloro-2-methoxy-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide
PubChem CID19766291
Molecular FormulaC16H22ClN3O2
Molecular Weight323.82 g/mol
Exact Mass323.14
IUPAC Name4-amino-5-chloro-2-methoxy-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide
SMILESCOc1cc(N)c(Cl)cc1C(=O)NC1C2CCN(CC2)C1C
InChIInChI=1S/C16H22ClN3O2/c1-9-15(10-3-5-20(9)6-4-10)19-16(21)11-7-12(17)13(18)8-14(11)22-2/h7-10,15H,3-6,18H2,1-2H3,(H,19,21)
InChIKeyJLUMIIXDSABYLH-UHFFFAOYSA-N
XLogP2.14
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-5-chloro-2-methoxy-N-[(2R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]benzamide;(E)-but-2-enedioic acid
CID 162316926
4-amino-N-[2-(4-aminoheptan-4-yl)-1-azabicyclo[2.2.2]octan-3-yl]-5-chloro-2-methoxybenzamide
CID 19108393
4-amino-5-chloro-2-methoxy-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide
CID 119782044
4-amino-N-[(3S,4R,5R,7R)-1-azatricyclo[3.3.1.03,7]nonan-4-yl]-5-chloro-2-methoxybenzamide
CID 10903347
4-amino-5-chloro-N-cyclohexyl-2-methoxybenzamide;hydrochloride
CID 119670043
N-[(2S,6R,9aR)-6-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-yl]-4-amino-5-chloro-2-methoxybenzamide
CID 505951
tert-butyl 2-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-4-methylpiperidine-1-carboxylate
CID 67283222
4-amino-5-chloro-2-methoxy-N-(2,3,5,8-tetrahydro-1H-pyrazolo[1,2-a]pyridazin-2-yl)benzamide
CID 13121444
2-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]piperidin-1-yl]butanoic acid
CID 22080716
4-amino-5-chloro-2-methoxy-N-[4-(trifluoromethyl)cyclohexyl]benzamide
CID 119701825
4-amino-5-chloro-2-methoxy-N-(2-phenylcyclopentyl)benzamide
CID 119783099
4-amino-5-chloro-2-methoxy-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide;dihydrochloride
CID 119892106

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-chloro-2-methoxy-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide?
The IUPAC name of 4-amino-5-chloro-2-methoxy-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide (CID 19766291) is 4-amino-5-chloro-2-methoxy-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide.
What is the SMILES notation for 4-amino-5-chloro-2-methoxy-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide?
The canonical SMILES for 4-amino-5-chloro-2-methoxy-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide is COc1cc(N)c(Cl)cc1C(=O)NC1C2CCN(CC2)C1C.
What is the InChIKey of 4-amino-5-chloro-2-methoxy-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide?
The InChIKey is JLUMIIXDSABYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O2/c1-9-15(10-3-5-20(9)6-4-10)19-16(21)11-7-12(17)13(18)8-14(11)22-2/h7-10,15H,3-6,18H2,1-2H3,(H,19,21).
What are the key properties of 4-amino-5-chloro-2-methoxy-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide?
4-amino-5-chloro-2-methoxy-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide has a molecular weight of 323.82 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-chloro-2-methoxy-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide is sourced from PubChem (CID 19766291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).