2-bromo-5-methoxy-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide

C20H24BrN3O2 — CID 24535273

IUPAC2-bromo-5-methoxy-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide
SMILESCOc1ccc(Br)c(C(=O)Nc2ccc(N3CCN(C)CC3)c(C)c2)c1
InChIInChI=1S/C20H24BrN3O2/c1-14-12-15(4-7-19(14)24-10-8-23(2)9-11-24)22-20(25)17-13-16(26-3)5-6-18(17)21/h4-7,12-13H,8-11H2,1-3H3,(H,22,25)
InChIKeyWXDVOHZHILHWHS-UHFFFAOYSA-N
MW418.34 g/mol
LogP3.77
Rot. Bonds4

About 2-bromo-5-methoxy-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide

2-bromo-5-methoxy-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide (PubChem CID 24535273) has the molecular formula C20H24BrN3O2 and a molecular weight of 418.34 g/mol. Its IUPAC name is 2-bromo-5-methoxy-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-bromo-5-methoxy-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide
PubChem CID24535273
Molecular FormulaC20H24BrN3O2
Molecular Weight418.34 g/mol
Exact Mass417.11
IUPAC Name2-bromo-5-methoxy-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide
SMILESCOc1ccc(Br)c(C(=O)Nc2ccc(N3CCN(C)CC3)c(C)c2)c1
InChIInChI=1S/C20H24BrN3O2/c1-14-12-15(4-7-19(14)24-10-8-23(2)9-11-24)22-20(25)17-13-16(26-3)5-6-18(17)21/h4-7,12-13H,8-11H2,1-3H3,(H,22,25)
InChIKeyWXDVOHZHILHWHS-UHFFFAOYSA-N
XLogP3.77
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.34
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-bromo-5-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide
CID 22597747
1-(4-methoxy-2-methylphenyl)-4-methylpiperazine
CID 21363831
3-bromo-5-methoxy-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-propoxybenzamide
CID 24535262
5-[(2-bromo-5-methoxybenzoyl)amino]-2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]benzoic acid
CID 40778280
1-(4-methoxyphenyl)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 55566446
5-methyl-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-1,2-oxazole-3-carboxamide
CID 39727257
N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-2-methoxy-3-methylbenzamide
CID 6461050
N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-nitrobenzamide
CID 51273364
2-bromo-5-methoxy-N-(4-propan-2-yloxyphenyl)benzamide
CID 55749089
2-bromo-N-[4-(cyclopropanecarbonylamino)phenyl]-5-methoxybenzamide
CID 42470780
2-bromo-N-(3-fluoro-4-hydroxyphenyl)-5-methoxybenzamide
CID 64781077
2-(4-bromophenyl)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 38172833

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methoxy-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide?
The IUPAC name of 2-bromo-5-methoxy-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide (CID 24535273) is 2-bromo-5-methoxy-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide.
What is the SMILES notation for 2-bromo-5-methoxy-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide?
The canonical SMILES for 2-bromo-5-methoxy-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide is COc1ccc(Br)c(C(=O)Nc2ccc(N3CCN(C)CC3)c(C)c2)c1.
What is the InChIKey of 2-bromo-5-methoxy-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide?
The InChIKey is WXDVOHZHILHWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrN3O2/c1-14-12-15(4-7-19(14)24-10-8-23(2)9-11-24)22-20(25)17-13-16(26-3)5-6-18(17)21/h4-7,12-13H,8-11H2,1-3H3,(H,22,25).
What are the key properties of 2-bromo-5-methoxy-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide?
2-bromo-5-methoxy-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide has a molecular weight of 418.34 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methoxy-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide is sourced from PubChem (CID 24535273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).