3-chloro-2-methyl-N-(4-methylpiperazin-1-yl)benzamide

C13H18ClN3O — CID 110463774

IUPAC3-chloro-2-methyl-N-(4-methylpiperazin-1-yl)benzamide
SMILESCc1c(Cl)cccc1C(=O)NN1CCN(C)CC1
InChIInChI=1S/C13H18ClN3O/c1-10-11(4-3-5-12(10)14)13(18)15-17-8-6-16(2)7-9-17/h3-5H,6-9H2,1-2H3,(H,15,18)
InChIKeyLBRBBNZOJFAKGK-UHFFFAOYSA-N
MW267.76 g/mol
LogP1.54
Rot. Bonds2

About 3-chloro-2-methyl-N-(4-methylpiperazin-1-yl)benzamide

3-chloro-2-methyl-N-(4-methylpiperazin-1-yl)benzamide (PubChem CID 110463774) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is 3-chloro-2-methyl-N-(4-methylpiperazin-1-yl)benzamide.

Molecular Properties

Compound Name3-chloro-2-methyl-N-(4-methylpiperazin-1-yl)benzamide
PubChem CID110463774
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name3-chloro-2-methyl-N-(4-methylpiperazin-1-yl)benzamide
SMILESCc1c(Cl)cccc1C(=O)NN1CCN(C)CC1
InChIInChI=1S/C13H18ClN3O/c1-10-11(4-3-5-12(10)14)13(18)15-17-8-6-16(2)7-9-17/h3-5H,6-9H2,1-2H3,(H,15,18)
InChIKeyLBRBBNZOJFAKGK-UHFFFAOYSA-N
XLogP1.54
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-methyl-N-(4-methylpiperazin-1-yl)benzamide
CID 83013438
N-(3-chloro-2-methylphenyl)-N'-(4-methylpiperazin-1-yl)oxamide
CID 45000333
3-(3-aminoprop-1-ynyl)-2-methyl-N-(4-methylpiperazin-1-yl)benzamide
CID 83016925
2-(dimethylamino)-N-(4-methylpiperazin-1-yl)benzamide
CID 110463540
3-chloro-2-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]benzamide
CID 96583038
3-amino-2-methyl-N-piperidin-1-ylbenzamide
CID 83012797
2-chloro-N-(4-methylpiperazin-1-yl)furan-3-carboxamide
CID 106687134
2-(aminomethyl)-N-(4-methylpiperazin-1-yl)benzamide
CID 82546934
2,5-dimethyl-N-(4-methylpiperazin-1-yl)benzamide
CID 9204739
3-methyl-N-(4-methylpiperazin-1-yl)benzamide
CID 872229
2-formamido-N-(4-methylpiperazin-1-yl)benzamide
CID 168653894
3-(2-chloro-6-fluorophenyl)-5-methyl-N-(4-methylpiperazin-1-yl)-1,2-oxazole-4-carboxamide
CID 2334883

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-N-(4-methylpiperazin-1-yl)benzamide?
The IUPAC name of 3-chloro-2-methyl-N-(4-methylpiperazin-1-yl)benzamide (CID 110463774) is 3-chloro-2-methyl-N-(4-methylpiperazin-1-yl)benzamide.
What is the SMILES notation for 3-chloro-2-methyl-N-(4-methylpiperazin-1-yl)benzamide?
The canonical SMILES for 3-chloro-2-methyl-N-(4-methylpiperazin-1-yl)benzamide is Cc1c(Cl)cccc1C(=O)NN1CCN(C)CC1.
What is the InChIKey of 3-chloro-2-methyl-N-(4-methylpiperazin-1-yl)benzamide?
The InChIKey is LBRBBNZOJFAKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O/c1-10-11(4-3-5-12(10)14)13(18)15-17-8-6-16(2)7-9-17/h3-5H,6-9H2,1-2H3,(H,15,18).
What are the key properties of 3-chloro-2-methyl-N-(4-methylpiperazin-1-yl)benzamide?
3-chloro-2-methyl-N-(4-methylpiperazin-1-yl)benzamide has a molecular weight of 267.76 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-N-(4-methylpiperazin-1-yl)benzamide is sourced from PubChem (CID 110463774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).