N-[2-(4-acetylpiperazin-1-yl)phenyl]-5-bromo-2-chlorobenzamide

C19H19BrClN3O2 — CID 1259192

IUPACN-[2-(4-acetylpiperazin-1-yl)phenyl]-5-bromo-2-chlorobenzamide
SMILESCC(=O)N1CCN(c2ccccc2NC(=O)c2cc(Br)ccc2Cl)CC1
InChIInChI=1S/C19H19BrClN3O2/c1-13(25)23-8-10-24(11-9-23)18-5-3-2-4-17(18)22-19(26)15-12-14(20)6-7-16(15)21/h2-7,12H,8-11H2,1H3,(H,22,26)
InChIKeyMRPAKBIVMHARNX-UHFFFAOYSA-N
MW436.74 g/mol
LogP4.02
Rot. Bonds3

About N-[2-(4-acetylpiperazin-1-yl)phenyl]-5-bromo-2-chlorobenzamide

N-[2-(4-acetylpiperazin-1-yl)phenyl]-5-bromo-2-chlorobenzamide (PubChem CID 1259192) has the molecular formula C19H19BrClN3O2 and a molecular weight of 436.74 g/mol. Its IUPAC name is N-[2-(4-acetylpiperazin-1-yl)phenyl]-5-bromo-2-chlorobenzamide.

Molecular Properties

Compound NameN-[2-(4-acetylpiperazin-1-yl)phenyl]-5-bromo-2-chlorobenzamide
PubChem CID1259192
Molecular FormulaC19H19BrClN3O2
Molecular Weight436.74 g/mol
Exact Mass435.03
IUPAC NameN-[2-(4-acetylpiperazin-1-yl)phenyl]-5-bromo-2-chlorobenzamide
SMILESCC(=O)N1CCN(c2ccccc2NC(=O)c2cc(Br)ccc2Cl)CC1
InChIInChI=1S/C19H19BrClN3O2/c1-13(25)23-8-10-24(11-9-23)18-5-3-2-4-17(18)22-19(26)15-12-14(20)6-7-16(15)21/h2-7,12H,8-11H2,1H3,(H,22,26)
InChIKeyMRPAKBIVMHARNX-UHFFFAOYSA-N
XLogP4.02
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.74
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-acetylpiperazin-1-yl)phenyl]-2-chloropyridine-3-carboxamide
CID 17102731
2-chloro-N-[2-(4-methylpiperazin-1-yl)phenyl]-5-methylsulfanylbenzamide
CID 8834278
N-[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]-5-bromo-2-chlorobenzamide
CID 17319284
N-[4-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-5-bromo-2-methoxybenzamide
CID 17111799
N-[2-(4-acetylpiperazin-1-yl)phenyl]-4-chloropyridine-2-carboxamide
CID 57327120
5-bromo-2-chloro-N-[2-(1,2,4-triazol-1-yl)phenyl]benzamide
CID 55573291
N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-chloro-4-methoxybenzamide
CID 3161434
N-[[2-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl]-4-bromobenzamide
CID 17110048
N-[2-(4-acetylpiperazin-1-yl)phenyl]naphthalene-2-carboxamide
CID 6458409
2,5-dichloro-N-[2-(4-methylpiperidin-1-yl)phenyl]benzamide
CID 4003180
N-[2-(4-acetylpiperazin-1-yl)phenyl]-2-nitrobenzamide
CID 7346441
5-bromo-2-chloro-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide
CID 56518298

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-acetylpiperazin-1-yl)phenyl]-5-bromo-2-chlorobenzamide?
The IUPAC name of N-[2-(4-acetylpiperazin-1-yl)phenyl]-5-bromo-2-chlorobenzamide (CID 1259192) is N-[2-(4-acetylpiperazin-1-yl)phenyl]-5-bromo-2-chlorobenzamide.
What is the SMILES notation for N-[2-(4-acetylpiperazin-1-yl)phenyl]-5-bromo-2-chlorobenzamide?
The canonical SMILES for N-[2-(4-acetylpiperazin-1-yl)phenyl]-5-bromo-2-chlorobenzamide is CC(=O)N1CCN(c2ccccc2NC(=O)c2cc(Br)ccc2Cl)CC1.
What is the InChIKey of N-[2-(4-acetylpiperazin-1-yl)phenyl]-5-bromo-2-chlorobenzamide?
The InChIKey is MRPAKBIVMHARNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrClN3O2/c1-13(25)23-8-10-24(11-9-23)18-5-3-2-4-17(18)22-19(26)15-12-14(20)6-7-16(15)21/h2-7,12H,8-11H2,1H3,(H,22,26).
What are the key properties of N-[2-(4-acetylpiperazin-1-yl)phenyl]-5-bromo-2-chlorobenzamide?
N-[2-(4-acetylpiperazin-1-yl)phenyl]-5-bromo-2-chlorobenzamide has a molecular weight of 436.74 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-acetylpiperazin-1-yl)phenyl]-5-bromo-2-chlorobenzamide is sourced from PubChem (CID 1259192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).