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

C19H23ClN3O2+ — CID 6964895

IUPAC3-chloro-4-methoxy-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1Cl
InChIInChI=1S/C19H22ClN3O2/c1-22-9-11-23(12-10-22)16-6-4-15(5-7-16)21-19(24)14-3-8-18(25-2)17(20)13-14/h3-8,13H,9-12H2,1-2H3,(H,21,24)/p+1
InChIKeyMYAVNDAZPHRHSN-UHFFFAOYSA-O
MW360.87 g/mol
LogP1.94
Rot. Bonds4

About 3-chloro-4-methoxy-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide

3-chloro-4-methoxy-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide (PubChem CID 6964895) has the molecular formula C19H23ClN3O2+ and a molecular weight of 360.87 g/mol. Its IUPAC name is 3-chloro-4-methoxy-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-chloro-4-methoxy-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide
PubChem CID6964895
Molecular FormulaC19H23ClN3O2+
Molecular Weight360.87 g/mol
Exact Mass360.15
IUPAC Name3-chloro-4-methoxy-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1Cl
InChIInChI=1S/C19H22ClN3O2/c1-22-9-11-23(12-10-22)16-6-4-15(5-7-16)21-19(24)14-3-8-18(25-2)17(20)13-14/h3-8,13H,9-12H2,1-2H3,(H,21,24)/p+1
InChIKeyMYAVNDAZPHRHSN-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-methoxybenzamide
CID 7340704
3-chloro-4-methoxy-N-[4-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]phenyl]benzamide
CID 3715859
3,4-dimethyl-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide
CID 6957323
3-chloro-4-methoxy-N-(4-methylphenyl)benzamide
CID 2976183
3-chloro-4-methoxy-N-(4-methoxyphenyl)benzamide
CID 44871411
3-chloro-N-[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4-methoxybenzamide
CID 7679043
N-[4-(aziridin-1-ylsulfonyl)phenyl]-3-chloro-4-methoxybenzamide
CID 155705982
4-ethoxy-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-nitrobenzamide
CID 2196430
3,4-dichloro-N-(4-piperidin-1-ylphenyl)benzamide
CID 807268
3-fluoro-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide
CID 6957194
N-(3-bromo-4-methoxyphenyl)-3-chloro-4-methoxybenzamide
CID 3529705
3,4-dichloro-N-[4-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]phenyl]benzamide
CID 17127951

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methoxy-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide?
The IUPAC name of 3-chloro-4-methoxy-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide (CID 6964895) is 3-chloro-4-methoxy-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide.
What is the SMILES notation for 3-chloro-4-methoxy-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide?
The canonical SMILES for 3-chloro-4-methoxy-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide is COc1ccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1Cl.
What is the InChIKey of 3-chloro-4-methoxy-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide?
The InChIKey is MYAVNDAZPHRHSN-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H22ClN3O2/c1-22-9-11-23(12-10-22)16-6-4-15(5-7-16)21-19(24)14-3-8-18(25-2)17(20)13-14/h3-8,13H,9-12H2,1-2H3,(H,21,24)/p+1.
What are the key properties of 3-chloro-4-methoxy-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide?
3-chloro-4-methoxy-N-[4-(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 3-chloro-4-methoxy-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide is sourced from PubChem (CID 6964895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).