3,6-dichloro-2-methoxy-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]benzamide

C18H27Cl2N3O2 — CID 110403154

IUPAC3,6-dichloro-2-methoxy-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]benzamide
SMILESCOc1c(Cl)ccc(Cl)c1C(=O)NCC(C(C)C)N1CCN(C)CC1
InChIInChI=1S/C18H27Cl2N3O2/c1-12(2)15(23-9-7-22(3)8-10-23)11-21-18(24)16-13(19)5-6-14(20)17(16)25-4/h5-6,12,15H,7-11H2,1-4H3,(H,21,24)
InChIKeyFPSZKECGFKYUGW-UHFFFAOYSA-N
MW388.34 g/mol
LogP3.00
Rot. Bonds6

About 3,6-dichloro-2-methoxy-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]benzamide

3,6-dichloro-2-methoxy-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]benzamide (PubChem CID 110403154) has the molecular formula C18H27Cl2N3O2 and a molecular weight of 388.34 g/mol. Its IUPAC name is 3,6-dichloro-2-methoxy-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]benzamide.

Molecular Properties

Compound Name3,6-dichloro-2-methoxy-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]benzamide
PubChem CID110403154
Molecular FormulaC18H27Cl2N3O2
Molecular Weight388.34 g/mol
Exact Mass387.15
IUPAC Name3,6-dichloro-2-methoxy-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]benzamide
SMILESCOc1c(Cl)ccc(Cl)c1C(=O)NCC(C(C)C)N1CCN(C)CC1
InChIInChI=1S/C18H27Cl2N3O2/c1-12(2)15(23-9-7-22(3)8-10-23)11-21-18(24)16-13(19)5-6-14(20)17(16)25-4/h5-6,12,15H,7-11H2,1-4H3,(H,21,24)
InChIKeyFPSZKECGFKYUGW-UHFFFAOYSA-N
XLogP3.00
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.34
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-3-methoxy-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]benzamide
CID 122145119
N-[(2S)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 51943526
1-(4-methoxyphenyl)-3-[(2R)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]urea
CID 30739567
3,4,5-trimethoxy-N-(3-methyl-2-pyrrolidin-1-ylbutyl)benzamide
CID 110402980
2-ethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]butanamide
CID 110403103
N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-4-(methylsulfonylmethyl)benzamide
CID 86984978
3,6-dichloro-2-methoxy-N-[(2R,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexyl]benzamide
CID 168895977
N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-3-methyl-2-(4-methylpiperazin-1-yl)butan-1-amine
CID 119126653
3,6-dichloro-N-[(2S)-1-hydroxypropan-2-yl]-2-methoxybenzamide
CID 110287800
1-benzyl-N-[(2S)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 51953298
2-methyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 86822964
N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-2-(4-methylphenoxy)acetamide
CID 110403144

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-2-methoxy-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]benzamide?
The IUPAC name of 3,6-dichloro-2-methoxy-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]benzamide (CID 110403154) is 3,6-dichloro-2-methoxy-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]benzamide.
What is the SMILES notation for 3,6-dichloro-2-methoxy-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]benzamide?
The canonical SMILES for 3,6-dichloro-2-methoxy-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]benzamide is COc1c(Cl)ccc(Cl)c1C(=O)NCC(C(C)C)N1CCN(C)CC1.
What is the InChIKey of 3,6-dichloro-2-methoxy-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]benzamide?
The InChIKey is FPSZKECGFKYUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27Cl2N3O2/c1-12(2)15(23-9-7-22(3)8-10-23)11-21-18(24)16-13(19)5-6-14(20)17(16)25-4/h5-6,12,15H,7-11H2,1-4H3,(H,21,24).
What are the key properties of 3,6-dichloro-2-methoxy-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]benzamide?
3,6-dichloro-2-methoxy-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]benzamide has a molecular weight of 388.34 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-2-methoxy-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]benzamide is sourced from PubChem (CID 110403154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).