3-chloro-4-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide

C19H23ClN3O+ — CID 7473635

IUPAC3-chloro-4-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccccc2N2CC[NH+](C)CC2)cc1Cl
InChIInChI=1S/C19H22ClN3O/c1-14-7-8-15(13-16(14)20)19(24)21-17-5-3-4-6-18(17)23-11-9-22(2)10-12-23/h3-8,13H,9-12H2,1-2H3,(H,21,24)/p+1
InChIKeySSYCFHSRIWDMSK-UHFFFAOYSA-O
MW344.87 g/mol
LogP2.24
Rot. Bonds3

About 3-chloro-4-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide

3-chloro-4-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide (PubChem CID 7473635) has the molecular formula C19H23ClN3O+ and a molecular weight of 344.87 g/mol. Its IUPAC name is 3-chloro-4-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-chloro-4-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide
PubChem CID7473635
Molecular FormulaC19H23ClN3O+
Molecular Weight344.87 g/mol
Exact Mass344.15
IUPAC Name3-chloro-4-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccccc2N2CC[NH+](C)CC2)cc1Cl
InChIInChI=1S/C19H22ClN3O/c1-14-7-8-15(13-16(14)20)19(24)21-17-5-3-4-6-18(17)23-11-9-22(2)10-12-23/h3-8,13H,9-12H2,1-2H3,(H,21,24)/p+1
InChIKeySSYCFHSRIWDMSK-UHFFFAOYSA-O
XLogP2.24
TPSA36.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.87
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-4-methyl-N-(2-morpholin-4-ylphenyl)benzamide
CID 898180
3,4-dichloro-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 960458
3-amino-4-methyl-N-(2-morpholin-4-ylphenyl)benzamide
CID 28723668
5-chloro-2-methoxy-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide
CID 6977940
3-acetamido-N-[2-(azepan-1-yl)phenyl]-4-methylbenzamide
CID 86998079
N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-phenylmethoxybenzamide
CID 7085446
2-[(3-chloro-4-methylbenzoyl)amino]benzoic acid
CID 63194782
N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-chloro-4-methoxybenzamide
CID 3161434
methyl 3-[(3-chloro-4-methylbenzoyl)amino]-4-(4-methylpiperazin-1-yl)benzoate
CID 6457161
N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-4-methylbenzamide
CID 1258048
3,5-dimethyl-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 7492197
3,5-dichloro-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 16557750

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide?
The IUPAC name of 3-chloro-4-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide (CID 7473635) is 3-chloro-4-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide.
What is the SMILES notation for 3-chloro-4-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide?
The canonical SMILES for 3-chloro-4-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide is Cc1ccc(C(=O)Nc2ccccc2N2CC[NH+](C)CC2)cc1Cl.
What is the InChIKey of 3-chloro-4-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide?
The InChIKey is SSYCFHSRIWDMSK-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H22ClN3O/c1-14-7-8-15(13-16(14)20)19(24)21-17-5-3-4-6-18(17)23-11-9-22(2)10-12-23/h3-8,13H,9-12H2,1-2H3,(H,21,24)/p+1.
What are the key properties of 3-chloro-4-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide?
3-chloro-4-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide has a molecular weight of 344.87 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide is sourced from PubChem (CID 7473635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).