4-amino-5-chloro-2-methoxy-N-(2-oxo-1-phenylpiperidin-3-yl)benzamide;hydrochloride

C19H21Cl2N3O3 — CID 119787621

IUPAC4-amino-5-chloro-2-methoxy-N-(2-oxo-1-phenylpiperidin-3-yl)benzamide;hydrochloride
SMILESCOc1cc(N)c(Cl)cc1C(=O)NC1CCCN(c2ccccc2)C1=O.Cl
InChIInChI=1S/C19H20ClN3O3.ClH/c1-26-17-11-15(21)14(20)10-13(17)18(24)22-16-8-5-9-23(19(16)25)12-6-3-2-4-7-12;/h2-4,6-7,10-11,16H,5,8-9,21H2,1H3,(H,22,24);1H
InChIKeyZWICGNYPLSPHFM-UHFFFAOYSA-N
MW410.30 g/mol
LogP3.28
Rot. Bonds4

About 4-amino-5-chloro-2-methoxy-N-(2-oxo-1-phenylpiperidin-3-yl)benzamide;hydrochloride

4-amino-5-chloro-2-methoxy-N-(2-oxo-1-phenylpiperidin-3-yl)benzamide;hydrochloride (PubChem CID 119787621) has the molecular formula C19H21Cl2N3O3 and a molecular weight of 410.30 g/mol. Its IUPAC name is 4-amino-5-chloro-2-methoxy-N-(2-oxo-1-phenylpiperidin-3-yl)benzamide;hydrochloride.

Molecular Properties

Compound Name4-amino-5-chloro-2-methoxy-N-(2-oxo-1-phenylpiperidin-3-yl)benzamide;hydrochloride
PubChem CID119787621
Molecular FormulaC19H21Cl2N3O3
Molecular Weight410.30 g/mol
Exact Mass409.10
IUPAC Name4-amino-5-chloro-2-methoxy-N-(2-oxo-1-phenylpiperidin-3-yl)benzamide;hydrochloride
SMILESCOc1cc(N)c(Cl)cc1C(=O)NC1CCCN(c2ccccc2)C1=O.Cl
InChIInChI=1S/C19H20ClN3O3.ClH/c1-26-17-11-15(21)14(20)10-13(17)18(24)22-16-8-5-9-23(19(16)25)12-6-3-2-4-7-12;/h2-4,6-7,10-11,16H,5,8-9,21H2,1H3,(H,22,24);1H
InChIKeyZWICGNYPLSPHFM-UHFFFAOYSA-N
XLogP3.28
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.30
LogP ≤ 53.28
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-methoxy-6-oxo-N-(2-oxo-1-phenylpiperidin-3-yl)-1H-pyridine-3-carboxamide
CID 138053753
4-amino-5-chloro-2-methoxy-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide
CID 119782044
4-amino-N-(1-benzhydrylpiperidin-4-yl)-5-chloro-2-methoxybenzamide;hydrochloride
CID 3044767
4-amino-N-(1-benzylpiperidin-4-yl)-5-chloro-2-methoxybenzamide;dihydrochloride
CID 119827622
4-amino-5-chloro-2-methoxy-N-(2-phenylcyclopentyl)benzamide
CID 119783099
4-amino-5-chloro-N-cyclohexyl-2-methoxybenzamide;hydrochloride
CID 119670043
3-cyclopentyloxy-4-methoxy-N-[(3S)-2-oxo-1-phenylpiperidin-3-yl]benzamide
CID 10409183
4-amino-5-chloro-N-[1-(3-chlorophenyl)pyrrolidin-3-yl]-2-methoxybenzamide
CID 119899547
3,4-dimethoxy-N-(2-oxo-1-phenylpyrrolidin-3-yl)benzamide
CID 136524569
4-amino-5-chloro-2-methoxy-N-(4-oxo-2-pyridin-4-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl)benzamide
CID 16730391
N-[1-(4-amino-5-chloro-2-methoxybenzoyl)piperidin-4-yl]benzamide;hydrochloride
CID 119698241
4-amino-5-chloro-2-methoxy-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide
CID 19766291

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-chloro-2-methoxy-N-(2-oxo-1-phenylpiperidin-3-yl)benzamide;hydrochloride?
The IUPAC name of 4-amino-5-chloro-2-methoxy-N-(2-oxo-1-phenylpiperidin-3-yl)benzamide;hydrochloride (CID 119787621) is 4-amino-5-chloro-2-methoxy-N-(2-oxo-1-phenylpiperidin-3-yl)benzamide;hydrochloride.
What is the SMILES notation for 4-amino-5-chloro-2-methoxy-N-(2-oxo-1-phenylpiperidin-3-yl)benzamide;hydrochloride?
The canonical SMILES for 4-amino-5-chloro-2-methoxy-N-(2-oxo-1-phenylpiperidin-3-yl)benzamide;hydrochloride is COc1cc(N)c(Cl)cc1C(=O)NC1CCCN(c2ccccc2)C1=O.Cl.
What is the InChIKey of 4-amino-5-chloro-2-methoxy-N-(2-oxo-1-phenylpiperidin-3-yl)benzamide;hydrochloride?
The InChIKey is ZWICGNYPLSPHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O3.ClH/c1-26-17-11-15(21)14(20)10-13(17)18(24)22-16-8-5-9-23(19(16)25)12-6-3-2-4-7-12;/h2-4,6-7,10-11,16H,5,8-9,21H2,1H3,(H,22,24);1H.
What are the key properties of 4-amino-5-chloro-2-methoxy-N-(2-oxo-1-phenylpiperidin-3-yl)benzamide;hydrochloride?
4-amino-5-chloro-2-methoxy-N-(2-oxo-1-phenylpiperidin-3-yl)benzamide;hydrochloride has a molecular weight of 410.30 g/mol, XLogP of 3.28, 4 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-oxo-1-phenylpiperidin-3-yl)benzamide;hydrochloride is sourced from PubChem (CID 119787621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).