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

C19H21BrClN3O — CID 56518298

IUPAC5-bromo-2-chloro-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide
SMILESCN1CCN(c2ccccc2CNC(=O)c2cc(Br)ccc2Cl)CC1
InChIInChI=1S/C19H21BrClN3O/c1-23-8-10-24(11-9-23)18-5-3-2-4-14(18)13-22-19(25)16-12-15(20)6-7-17(16)21/h2-7,12H,8-11,13H2,1H3,(H,22,25)
InChIKeyPCUXOPXCHAPXNB-UHFFFAOYSA-N
MW422.75 g/mol
LogP3.78
Rot. Bonds4

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

5-bromo-2-chloro-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide (PubChem CID 56518298) has the molecular formula C19H21BrClN3O and a molecular weight of 422.75 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide
PubChem CID56518298
Molecular FormulaC19H21BrClN3O
Molecular Weight422.75 g/mol
Exact Mass421.06
IUPAC Name5-bromo-2-chloro-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide
SMILESCN1CCN(c2ccccc2CNC(=O)c2cc(Br)ccc2Cl)CC1
InChIInChI=1S/C19H21BrClN3O/c1-23-8-10-24(11-9-23)18-5-3-2-4-14(18)13-22-19(25)16-12-15(20)6-7-17(16)21/h2-7,12H,8-11,13H2,1H3,(H,22,25)
InChIKeyPCUXOPXCHAPXNB-UHFFFAOYSA-N
XLogP3.78
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.75
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-chloro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide
CID 42266764
N-[2-(4-acetylpiperazin-1-yl)phenyl]-5-bromo-2-chlorobenzamide
CID 1259192
1-benzyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2-oxopyridine-3-carboxamide
CID 56517580
[2-[[(5-bromo-2-chlorobenzoyl)amino]methyl]phenyl]methyl-diethylazanium
CID 9073050
5-(4-bromophenyl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pentanamide
CID 56517492
N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 56517039
N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzo[f]quinoline-5-carboxamide
CID 56517786
2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]acetamide
CID 56517413
N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2,2-diphenylacetamide
CID 56518010
N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-4-propan-2-ylsulfanylbenzamide
CID 56518359
N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-1-(2-methylpropyl)indole-3-carboxamide
CID 56523326
1-(4-chlorophenyl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pyrazole-4-carboxamide
CID 56518265

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide?
The IUPAC name of 5-bromo-2-chloro-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide (CID 56518298) is 5-bromo-2-chloro-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide is CN1CCN(c2ccccc2CNC(=O)c2cc(Br)ccc2Cl)CC1.
What is the InChIKey of 5-bromo-2-chloro-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide?
The InChIKey is PCUXOPXCHAPXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrClN3O/c1-23-8-10-24(11-9-23)18-5-3-2-4-14(18)13-22-19(25)16-12-15(20)6-7-17(16)21/h2-7,12H,8-11,13H2,1H3,(H,22,25).
What are the key properties of 5-bromo-2-chloro-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide?
5-bromo-2-chloro-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide has a molecular weight of 422.75 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide is sourced from PubChem (CID 56518298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).