3-bromo-4-methoxy-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzamide

C15H20BrN3O3 — CID 110605845

IUPAC3-bromo-4-methoxy-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzamide
SMILESCOc1ccc(C(=O)NCC(=O)N2CCN(C)CC2)cc1Br
InChIInChI=1S/C15H20BrN3O3/c1-18-5-7-19(8-6-18)14(20)10-17-15(21)11-3-4-13(22-2)12(16)9-11/h3-4,9H,5-8,10H2,1-2H3,(H,17,21)
InChIKeyYYHQRCQWDWHUQG-UHFFFAOYSA-N
MW370.25 g/mol
LogP0.96
Rot. Bonds4

About 3-bromo-4-methoxy-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzamide

3-bromo-4-methoxy-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzamide (PubChem CID 110605845) has the molecular formula C15H20BrN3O3 and a molecular weight of 370.25 g/mol. Its IUPAC name is 3-bromo-4-methoxy-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-bromo-4-methoxy-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzamide
PubChem CID110605845
Molecular FormulaC15H20BrN3O3
Molecular Weight370.25 g/mol
Exact Mass369.07
IUPAC Name3-bromo-4-methoxy-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzamide
SMILESCOc1ccc(C(=O)NCC(=O)N2CCN(C)CC2)cc1Br
InChIInChI=1S/C15H20BrN3O3/c1-18-5-7-19(8-6-18)14(20)10-17-15(21)11-3-4-13(22-2)12(16)9-11/h3-4,9H,5-8,10H2,1-2H3,(H,17,21)
InChIKeyYYHQRCQWDWHUQG-UHFFFAOYSA-N
XLogP0.96
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.25
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-[2-[(3-bromo-4-methoxybenzoyl)amino]ethyl]-4-methoxybenzamide
CID 5120217
3-bromo-N-ethyl-4-methoxybenzamide
CID 51200283
3-bromo-N-(3,3-dimethyl-2-oxobutyl)-4-methoxybenzamide
CID 64991980
N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 55551154
1-[4-(3-bromo-4-methoxybenzoyl)piperazin-1-yl]propan-1-one
CID 110799749
2-methoxy-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-5-phenylbenzamide
CID 110605924
3-bromo-N-[(2R)-2-hydroxypropyl]-4-methoxybenzamide
CID 83031955
N-[2-(3-bromo-4-methoxyphenyl)ethyl]-4-methylpiperazine-1-carboxamide
CID 11717373
N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-3,4-dimethoxybenzamide
CID 51161913
3-bromo-N-[3-(4-ethylpiperazin-1-yl)propyl]-4-methoxybenzamide
CID 47029235
4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]benzamide
CID 55588222
4-(difluoromethoxy)-3-methoxy-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 55349529

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methoxy-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzamide?
The IUPAC name of 3-bromo-4-methoxy-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzamide (CID 110605845) is 3-bromo-4-methoxy-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzamide.
What is the SMILES notation for 3-bromo-4-methoxy-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzamide?
The canonical SMILES for 3-bromo-4-methoxy-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzamide is COc1ccc(C(=O)NCC(=O)N2CCN(C)CC2)cc1Br.
What is the InChIKey of 3-bromo-4-methoxy-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzamide?
The InChIKey is YYHQRCQWDWHUQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O3/c1-18-5-7-19(8-6-18)14(20)10-17-15(21)11-3-4-13(22-2)12(16)9-11/h3-4,9H,5-8,10H2,1-2H3,(H,17,21).
What are the key properties of 3-bromo-4-methoxy-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzamide?
3-bromo-4-methoxy-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzamide has a molecular weight of 370.25 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methoxy-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzamide is sourced from PubChem (CID 110605845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).