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

C19H23ClN3O2+ — CID 7379395

IUPACN-[3-chloro-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Cl)c2)c1
InChIInChI=1S/C19H22ClN3O2/c1-22-8-10-23(11-9-22)18-7-6-15(13-17(18)20)21-19(24)14-4-3-5-16(12-14)25-2/h3-7,12-13H,8-11H2,1-2H3,(H,21,24)/p+1
InChIKeyLCOIONXIAUJRJK-UHFFFAOYSA-O
MW360.87 g/mol
LogP1.94
Rot. Bonds4

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

N-[3-chloro-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-methoxybenzamide (PubChem CID 7379395) has the molecular formula C19H23ClN3O2+ and a molecular weight of 360.87 g/mol. Its IUPAC name is N-[3-chloro-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[3-chloro-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-methoxybenzamide
PubChem CID7379395
Molecular FormulaC19H23ClN3O2+
Molecular Weight360.87 g/mol
Exact Mass360.15
IUPAC NameN-[3-chloro-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Cl)c2)c1
InChIInChI=1S/C19H22ClN3O2/c1-22-8-10-23(11-9-22)18-7-6-15(13-17(18)20)21-19(24)14-4-3-5-16(12-14)25-2/h3-7,12-13H,8-11H2,1-2H3,(H,21,24)/p+1
InChIKeyLCOIONXIAUJRJK-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-butoxy-N-[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]benzamide
CID 2067744
N-(3-amino-4-morpholin-4-ylphenyl)-3-methoxybenzamide
CID 28688979
N-[4-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanylphenyl]-3-methoxybenzamide
CID 23095520
3-chloro-N-[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4-methoxybenzamide
CID 7679043
N-[3-chloro-4-(4-methylpiperidin-1-yl)phenyl]-4-methoxybenzamide
CID 17102771
N-[4-[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanylphenyl]-3-methoxybenzamide
CID 22781328
N-[3-chloro-4-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]phenyl]-3-(2-methylpropoxy)benzamide
CID 3340593
N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-3-methylbenzamide
CID 17102762
3-chloro-4-methoxy-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide
CID 6964895
N-[4-amino-2-chloro-5-(4-methylpiperazin-1-yl)phenyl]-3-methoxybenzamide
CID 50881780
N-[[4-(4-acetylpiperazin-1-yl)-3-chlorophenyl]carbamothioyl]-3-propan-2-yloxybenzamide
CID 17116177
N-[3-chloro-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-3-ethoxybenzamide
CID 17358573

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-methoxybenzamide?
The IUPAC name of N-[3-chloro-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-methoxybenzamide (CID 7379395) is N-[3-chloro-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-methoxybenzamide.
What is the SMILES notation for N-[3-chloro-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-methoxybenzamide?
The canonical SMILES for N-[3-chloro-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-methoxybenzamide is COc1cccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Cl)c2)c1.
What is the InChIKey of N-[3-chloro-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-methoxybenzamide?
The InChIKey is LCOIONXIAUJRJK-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H22ClN3O2/c1-22-8-10-23(11-9-22)18-7-6-15(13-17(18)20)21-19(24)14-4-3-5-16(12-14)25-2/h3-7,12-13H,8-11H2,1-2H3,(H,21,24)/p+1.
What are the key properties of N-[3-chloro-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-methoxybenzamide?
N-[3-chloro-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-methoxybenzamide 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 N-[3-chloro-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-methoxybenzamide is sourced from PubChem (CID 7379395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).