5-chloro-2-methoxy-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide

C19H23ClN3O2+ — CID 6977940

IUPAC5-chloro-2-methoxy-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1ccccc1N1CC[NH+](C)CC1
InChIInChI=1S/C19H22ClN3O2/c1-22-9-11-23(12-10-22)17-6-4-3-5-16(17)21-19(24)15-13-14(20)7-8-18(15)25-2/h3-8,13H,9-12H2,1-2H3,(H,21,24)/p+1
InChIKeyCLCZLSWNRLPIOR-UHFFFAOYSA-O
MW360.87 g/mol
LogP1.94
Rot. Bonds4

About 5-chloro-2-methoxy-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide

5-chloro-2-methoxy-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide (PubChem CID 6977940) has the molecular formula C19H23ClN3O2+ and a molecular weight of 360.87 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide
PubChem CID6977940
Molecular FormulaC19H23ClN3O2+
Molecular Weight360.87 g/mol
Exact Mass360.15
IUPAC Name5-chloro-2-methoxy-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1ccccc1N1CC[NH+](C)CC1
InChIInChI=1S/C19H22ClN3O2/c1-22-9-11-23(12-10-22)17-6-4-3-5-16(17)21-19(24)15-13-14(20)7-8-18(15)25-2/h3-8,13H,9-12H2,1-2H3,(H,21,24)/p+1
InChIKeyCLCZLSWNRLPIOR-UHFFFAOYSA-O
XLogP1.94
TPSA46.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.87
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-methoxy-N-[2-(4-methylpiperidin-1-yl)phenyl]benzamide
CID 2953935
5-chloro-2-methoxy-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 17488699
5-chloro-N-(3-chloro-2-pyrrolidin-1-ylphenyl)-2-methoxybenzamide
CID 3967423
2,5-dichloro-N-[2-(4-methylpiperidin-1-yl)phenyl]benzamide
CID 4003180
3-chloro-4-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide
CID 7473635
N-(5-chloro-2-methoxyphenyl)-2-morpholin-4-ylbenzamide
CID 48980598
N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-3-methoxynaphthalene-2-carboxamide
CID 17117888
5-chloro-N-(3-chloro-4-piperidin-1-ylphenyl)-2-methoxybenzamide
CID 1007459
2-methoxy-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 935026
5-chloro-2-iodo-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 38924649
N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-2,4-dimethoxybenzamide
CID 17335991
(E)-N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-(2,5-dimethoxyphenyl)prop-2-enamide
CID 7551849

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide?
The IUPAC name of 5-chloro-2-methoxy-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide (CID 6977940) is 5-chloro-2-methoxy-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide?
The canonical SMILES for 5-chloro-2-methoxy-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide is COc1ccc(Cl)cc1C(=O)Nc1ccccc1N1CC[NH+](C)CC1.
What is the InChIKey of 5-chloro-2-methoxy-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide?
The InChIKey is CLCZLSWNRLPIOR-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H22ClN3O2/c1-22-9-11-23(12-10-22)17-6-4-3-5-16(17)21-19(24)15-13-14(20)7-8-18(15)25-2/h3-8,13H,9-12H2,1-2H3,(H,21,24)/p+1.
What are the key properties of 5-chloro-2-methoxy-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide?
5-chloro-2-methoxy-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide has a molecular weight of 360.87 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide is sourced from PubChem (CID 6977940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).