4-bromo-3-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide

C15H21BrClN3O — CID 80965947

IUPAC4-bromo-3-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide
SMILESCN1CCN(CCCNC(=O)c2ccc(Br)c(Cl)c2)CC1
InChIInChI=1S/C15H21BrClN3O/c1-19-7-9-20(10-8-19)6-2-5-18-15(21)12-3-4-13(16)14(17)11-12/h3-4,11H,2,5-10H2,1H3,(H,18,21)
InChIKeyRBWUVGNWLVYCER-UHFFFAOYSA-N
MW374.71 g/mol
LogP2.47
Rot. Bonds5

About 4-bromo-3-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide

4-bromo-3-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide (PubChem CID 80965947) has the molecular formula C15H21BrClN3O and a molecular weight of 374.71 g/mol. Its IUPAC name is 4-bromo-3-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide.

Molecular Properties

Compound Name4-bromo-3-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide
PubChem CID80965947
Molecular FormulaC15H21BrClN3O
Molecular Weight374.71 g/mol
Exact Mass373.06
IUPAC Name4-bromo-3-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide
SMILESCN1CCN(CCCNC(=O)c2ccc(Br)c(Cl)c2)CC1
InChIInChI=1S/C15H21BrClN3O/c1-19-7-9-20(10-8-19)6-2-5-18-15(21)12-3-4-13(16)14(17)11-12/h3-4,11H,2,5-10H2,1H3,(H,18,21)
InChIKeyRBWUVGNWLVYCER-UHFFFAOYSA-N
XLogP2.47
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.71
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-bromo-3-chloro-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 81295151
3,4-dichloro-N-[3-[4-[3-[(3,4-dichlorobenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide
CID 3672547
3-bromo-4-chloro-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 103841452
3,4-dichloro-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide
CID 110444148
3,4-diamino-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide
CID 18999787
4-bromo-3-chloro-N-(3-methylsulfonylpropyl)benzamide
CID 80972971
N-[3-(4-methylpiperazin-1-yl)propyl]-4-propan-2-ylbenzamide
CID 59186291
4-bromo-3-methyl-N-(3-piperidin-1-ylpropyl)benzamide
CID 115769516
6-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]pyridine-3-carboxamide
CID 60668368
N-(4-aminobutyl)-4-bromo-3-chlorobenzamide
CID 81290247
3,4-dichloro-N-(3-morpholin-4-ylpropyl)benzamide
CID 3328171
4-bromo-N-(4-bromopentyl)-3-chlorobenzamide
CID 106130615

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide?
The IUPAC name of 4-bromo-3-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide (CID 80965947) is 4-bromo-3-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide.
What is the SMILES notation for 4-bromo-3-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide?
The canonical SMILES for 4-bromo-3-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide is CN1CCN(CCCNC(=O)c2ccc(Br)c(Cl)c2)CC1.
What is the InChIKey of 4-bromo-3-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide?
The InChIKey is RBWUVGNWLVYCER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrClN3O/c1-19-7-9-20(10-8-19)6-2-5-18-15(21)12-3-4-13(16)14(17)11-12/h3-4,11H,2,5-10H2,1H3,(H,18,21).
What are the key properties of 4-bromo-3-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide?
4-bromo-3-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide has a molecular weight of 374.71 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide is sourced from PubChem (CID 80965947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).