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

C19H22BrN3O — CID 22414591

IUPAC4-bromo-N-[4-methyl-3-(4-methylpiperazin-1-yl)phenyl]benzamide
SMILESCc1ccc(NC(=O)c2ccc(Br)cc2)cc1N1CCN(C)CC1
InChIInChI=1S/C19H22BrN3O/c1-14-3-8-17(13-18(14)23-11-9-22(2)10-12-23)21-19(24)15-4-6-16(20)7-5-15/h3-8,13H,9-12H2,1-2H3,(H,21,24)
InChIKeyIAEMKRKQRYYBNQ-UHFFFAOYSA-N
MW388.31 g/mol
LogP3.76
Rot. Bonds3

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

4-bromo-N-[4-methyl-3-(4-methylpiperazin-1-yl)phenyl]benzamide (PubChem CID 22414591) has the molecular formula C19H22BrN3O and a molecular weight of 388.31 g/mol. Its IUPAC name is 4-bromo-N-[4-methyl-3-(4-methylpiperazin-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[4-methyl-3-(4-methylpiperazin-1-yl)phenyl]benzamide
PubChem CID22414591
Molecular FormulaC19H22BrN3O
Molecular Weight388.31 g/mol
Exact Mass387.09
IUPAC Name4-bromo-N-[4-methyl-3-(4-methylpiperazin-1-yl)phenyl]benzamide
SMILESCc1ccc(NC(=O)c2ccc(Br)cc2)cc1N1CCN(C)CC1
InChIInChI=1S/C19H22BrN3O/c1-14-3-8-17(13-18(14)23-11-9-22(2)10-12-23)21-19(24)15-4-6-16(20)7-5-15/h3-8,13H,9-12H2,1-2H3,(H,21,24)
InChIKeyIAEMKRKQRYYBNQ-UHFFFAOYSA-N
XLogP3.76
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.31
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide
CID 22597703
[4-[[4-fluoro-3-(4-methylpiperazin-1-yl)phenyl]carbamoyl]-2-methylphenyl]boronic acid
CID 18960619
2-(4-bromophenyl)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 38172833
4-fluoro-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 18940679
N-[4-[[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 55457161
3-bromo-N-(3-fluoro-4-methylphenyl)-5-(4-methyl-1,4-diazepan-1-yl)benzamide
CID 44528445
N-[5-bromo-2-(4-methylpiperazin-1-yl)phenyl]-4-fluoro-3,5-dimethylbenzamide
CID 137376332
5-[(4-bromobenzoyl)amino]-2-(4-methylpiperidin-1-yl)benzoic acid
CID 50807368
5-bromo-3-methyl-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-1-benzofuran-2-carboxamide
CID 39727003
5-[(4-bromobenzoyl)amino]-2-(4-ethylpiperazin-1-yl)benzoic acid;2,2,2-trifluoroacetic acid
CID 146061009
4-bromo-N-(4-methyl-2-oxochromen-7-yl)benzamide
CID 2675719
N-(3-formyl-4-methylphenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 87562064

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[4-methyl-3-(4-methylpiperazin-1-yl)phenyl]benzamide?
The IUPAC name of 4-bromo-N-[4-methyl-3-(4-methylpiperazin-1-yl)phenyl]benzamide (CID 22414591) is 4-bromo-N-[4-methyl-3-(4-methylpiperazin-1-yl)phenyl]benzamide.
What is the SMILES notation for 4-bromo-N-[4-methyl-3-(4-methylpiperazin-1-yl)phenyl]benzamide?
The canonical SMILES for 4-bromo-N-[4-methyl-3-(4-methylpiperazin-1-yl)phenyl]benzamide is Cc1ccc(NC(=O)c2ccc(Br)cc2)cc1N1CCN(C)CC1.
What is the InChIKey of 4-bromo-N-[4-methyl-3-(4-methylpiperazin-1-yl)phenyl]benzamide?
The InChIKey is IAEMKRKQRYYBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN3O/c1-14-3-8-17(13-18(14)23-11-9-22(2)10-12-23)21-19(24)15-4-6-16(20)7-5-15/h3-8,13H,9-12H2,1-2H3,(H,21,24).
What are the key properties of 4-bromo-N-[4-methyl-3-(4-methylpiperazin-1-yl)phenyl]benzamide?
4-bromo-N-[4-methyl-3-(4-methylpiperazin-1-yl)phenyl]benzamide has a molecular weight of 388.31 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[4-methyl-3-(4-methylpiperazin-1-yl)phenyl]benzamide is sourced from PubChem (CID 22414591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).