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

C21H25BrN2O2 — CID 3967891

IUPAC5-bromo-2-methoxy-3-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]benzamide
SMILESCOc1c(C)cc(Br)cc1C(=O)Nc1ccc(N2CCC(C)CC2)cc1
InChIInChI=1S/C21H25BrN2O2/c1-14-8-10-24(11-9-14)18-6-4-17(5-7-18)23-21(25)19-13-16(22)12-15(2)20(19)26-3/h4-7,12-14H,8-11H2,1-3H3,(H,23,25)
InChIKeyFTJMDJCIGPYVNC-UHFFFAOYSA-N
MW417.35 g/mol
LogP5.25
Rot. Bonds4

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

5-bromo-2-methoxy-3-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]benzamide (PubChem CID 3967891) has the molecular formula C21H25BrN2O2 and a molecular weight of 417.35 g/mol. Its IUPAC name is 5-bromo-2-methoxy-3-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-methoxy-3-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]benzamide
PubChem CID3967891
Molecular FormulaC21H25BrN2O2
Molecular Weight417.35 g/mol
Exact Mass416.11
IUPAC Name5-bromo-2-methoxy-3-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]benzamide
SMILESCOc1c(C)cc(Br)cc1C(=O)Nc1ccc(N2CCC(C)CC2)cc1
InChIInChI=1S/C21H25BrN2O2/c1-14-8-10-24(11-9-14)18-6-4-17(5-7-18)23-21(25)19-13-16(22)12-15(2)20(19)26-3/h4-7,12-14H,8-11H2,1-3H3,(H,23,25)
InChIKeyFTJMDJCIGPYVNC-UHFFFAOYSA-N
XLogP5.25
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.35
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-methoxy-3-methyl-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide
CID 1299265
N-(4-acetamidophenyl)-5-bromo-2-methoxy-3-methylbenzamide
CID 5153550
4-[(5-bromo-2-methoxy-3-methylbenzoyl)amino]benzoic acid
CID 28674729
2,3-dimethyl-N-[4-(4-methylpiperidin-1-yl)phenyl]benzamide
CID 60600795
3,5-dibromo-N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-methoxybenzamide
CID 21216580
2-chloro-4-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]benzamide
CID 21229733
5-bromo-N-(3-bromophenyl)-2-methoxy-3-methylbenzamide
CID 3979736
1-[4-(4-methylpiperidin-1-yl)phenyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 108992539
3,5-dibromo-2-methoxy-N-[4-[(2R)-2-methylpiperidin-1-yl]phenyl]benzamide
CID 40864687
2-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-5-methylsulfonylbenzamide
CID 9303240
3,5-dibromo-N-[4-[(3,5-dibromo-2-methoxybenzoyl)amino]phenyl]-2-methoxybenzamide
CID 5142163
N'-(4-methoxyphenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]oxamide
CID 108987256

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methoxy-3-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]benzamide?
The IUPAC name of 5-bromo-2-methoxy-3-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]benzamide (CID 3967891) is 5-bromo-2-methoxy-3-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]benzamide.
What is the SMILES notation for 5-bromo-2-methoxy-3-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]benzamide?
The canonical SMILES for 5-bromo-2-methoxy-3-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]benzamide is COc1c(C)cc(Br)cc1C(=O)Nc1ccc(N2CCC(C)CC2)cc1.
What is the InChIKey of 5-bromo-2-methoxy-3-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]benzamide?
The InChIKey is FTJMDJCIGPYVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25BrN2O2/c1-14-8-10-24(11-9-14)18-6-4-17(5-7-18)23-21(25)19-13-16(22)12-15(2)20(19)26-3/h4-7,12-14H,8-11H2,1-3H3,(H,23,25).
What are the key properties of 5-bromo-2-methoxy-3-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]benzamide?
5-bromo-2-methoxy-3-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]benzamide has a molecular weight of 417.35 g/mol, XLogP of 5.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methoxy-3-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]benzamide is sourced from PubChem (CID 3967891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).