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

C24H20BrCl2N3O2 — CID 1307587

IUPAC5-bromo-2-chloro-N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]benzamide
SMILESO=C(Nc1ccccc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1)c1cc(Br)ccc1Cl
InChIInChI=1S/C24H20BrCl2N3O2/c25-17-7-10-20(27)19(15-17)23(31)28-21-3-1-2-4-22(21)29-11-13-30(14-12-29)24(32)16-5-8-18(26)9-6-16/h1-10,15H,11-14H2,(H,28,31)
InChIKeyNMZCCXMWEORAPM-UHFFFAOYSA-N
MW533.25 g/mol
LogP5.97
Rot. Bonds4

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

5-bromo-2-chloro-N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]benzamide (PubChem CID 1307587) has the molecular formula C24H20BrCl2N3O2 and a molecular weight of 533.25 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]benzamide
PubChem CID1307587
Molecular FormulaC24H20BrCl2N3O2
Molecular Weight533.25 g/mol
Exact Mass531.01
IUPAC Name5-bromo-2-chloro-N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]benzamide
SMILESO=C(Nc1ccccc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1)c1cc(Br)ccc1Cl
InChIInChI=1S/C24H20BrCl2N3O2/c25-17-7-10-20(27)19(15-17)23(31)28-21-3-1-2-4-22(21)29-11-13-30(14-12-29)24(32)16-5-8-18(26)9-6-16/h1-10,15H,11-14H2,(H,28,31)
InChIKeyNMZCCXMWEORAPM-UHFFFAOYSA-N
XLogP5.97
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.25
LogP ≤ 55.97
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-(4-chlorobenzoyl)piperazin-1-yl]phenyl]benzamide?
The IUPAC name of 5-bromo-2-chloro-N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]benzamide (CID 1307587) is 5-bromo-2-chloro-N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]benzamide is O=C(Nc1ccccc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1)c1cc(Br)ccc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]benzamide?
The InChIKey is NMZCCXMWEORAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20BrCl2N3O2/c25-17-7-10-20(27)19(15-17)23(31)28-21-3-1-2-4-22(21)29-11-13-30(14-12-29)24(32)16-5-8-18(26)9-6-16/h1-10,15H,11-14H2,(H,28,31).
What are the key properties of 5-bromo-2-chloro-N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]benzamide?
5-bromo-2-chloro-N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]benzamide has a molecular weight of 533.25 g/mol, XLogP of 5.97, 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-(4-chlorobenzoyl)piperazin-1-yl]phenyl]benzamide is sourced from PubChem (CID 1307587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).