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

C18H19BrClN3O — CID 1265599

IUPAC5-bromo-2-chloro-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide
SMILESCN1CCN(c2ccccc2NC(=O)c2cc(Br)ccc2Cl)CC1
InChIInChI=1S/C18H19BrClN3O/c1-22-8-10-23(11-9-22)17-5-3-2-4-16(17)21-18(24)14-12-13(19)6-7-15(14)20/h2-7,12H,8-11H2,1H3,(H,21,24)
InChIKeyGFLVRUURAJEVQZ-UHFFFAOYSA-N
MW408.73 g/mol
LogP4.11
Rot. Bonds3

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

5-bromo-2-chloro-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide (PubChem CID 1265599) has the molecular formula C18H19BrClN3O and a molecular weight of 408.73 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide
PubChem CID1265599
Molecular FormulaC18H19BrClN3O
Molecular Weight408.73 g/mol
Exact Mass407.04
IUPAC Name5-bromo-2-chloro-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide
SMILESCN1CCN(c2ccccc2NC(=O)c2cc(Br)ccc2Cl)CC1
InChIInChI=1S/C18H19BrClN3O/c1-22-8-10-23(11-9-22)17-5-3-2-4-16(17)21-18(24)14-12-13(19)6-7-15(14)20/h2-7,12H,8-11H2,1H3,(H,21,24)
InChIKeyGFLVRUURAJEVQZ-UHFFFAOYSA-N
XLogP4.11
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.73
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide?
The IUPAC name of 5-bromo-2-chloro-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide (CID 1265599) is 5-bromo-2-chloro-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide is CN1CCN(c2ccccc2NC(=O)c2cc(Br)ccc2Cl)CC1.
What is the InChIKey of 5-bromo-2-chloro-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide?
The InChIKey is GFLVRUURAJEVQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrClN3O/c1-22-8-10-23(11-9-22)17-5-3-2-4-16(17)21-18(24)14-12-13(19)6-7-15(14)20/h2-7,12H,8-11H2,1H3,(H,21,24).
What are the key properties of 5-bromo-2-chloro-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide?
5-bromo-2-chloro-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide has a molecular weight of 408.73 g/mol, XLogP of 4.11, 3 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]benzamide is sourced from PubChem (CID 1265599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).