N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-4-bromobenzamide

C19H19BrClN3O2 — CID 17176995

IUPACN-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-4-bromobenzamide
SMILESCC(=O)N1CCN(c2c(Cl)cccc2NC(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C19H19BrClN3O2/c1-13(25)23-9-11-24(12-10-23)18-16(21)3-2-4-17(18)22-19(26)14-5-7-15(20)8-6-14/h2-8H,9-12H2,1H3,(H,22,26)
InChIKeyDKRJFRQCXKXSJO-UHFFFAOYSA-N
MW436.74 g/mol
LogP4.02
Rot. Bonds3

About N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-4-bromobenzamide

N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-4-bromobenzamide (PubChem CID 17176995) has the molecular formula C19H19BrClN3O2 and a molecular weight of 436.74 g/mol. Its IUPAC name is N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-4-bromobenzamide.

Molecular Properties

Compound NameN-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-4-bromobenzamide
PubChem CID17176995
Molecular FormulaC19H19BrClN3O2
Molecular Weight436.74 g/mol
Exact Mass435.03
IUPAC NameN-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-4-bromobenzamide
SMILESCC(=O)N1CCN(c2c(Cl)cccc2NC(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C19H19BrClN3O2/c1-13(25)23-9-11-24(12-10-23)18-16(21)3-2-4-17(18)22-19(26)14-5-7-15(20)8-6-14/h2-8H,9-12H2,1H3,(H,22,26)
InChIKeyDKRJFRQCXKXSJO-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)-3-chlorophenyl]-4-propoxybenzamide
CID 17177021
4-bromo-N-[[3-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide
CID 17129134
N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-5-bromonaphthalene-1-carboxamide
CID 17177061
N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-5-bromo-2-methoxy-3-methylbenzamide
CID 17177028
N-(3-chloro-2-piperidin-1-ylphenyl)-4-methylbenzamide
CID 952476
4-bromo-N-[[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]benzamide
CID 4566183
N-(3-chloro-2-pyrrolidin-1-ylphenyl)-4-fluorobenzamide
CID 1252929
N-(3-chloro-2-piperidin-1-ylphenyl)benzamide
CID 952564
N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]butanamide
CID 17018500
N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-3-[(2S)-butan-2-yl]oxybenzamide
CID 41316307
3-bromo-N-[3-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-4-methoxybenzamide
CID 17128996
4-(4-acetylpiperazine-1-carbonyl)-N-(2-chlorophenyl)benzamide
CID 109046496

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-4-bromobenzamide?
The IUPAC name of N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-4-bromobenzamide (CID 17176995) is N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-4-bromobenzamide.
What is the SMILES notation for N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-4-bromobenzamide?
The canonical SMILES for N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-4-bromobenzamide is CC(=O)N1CCN(c2c(Cl)cccc2NC(=O)c2ccc(Br)cc2)CC1.
What is the InChIKey of N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-4-bromobenzamide?
The InChIKey is DKRJFRQCXKXSJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrClN3O2/c1-13(25)23-9-11-24(12-10-23)18-16(21)3-2-4-17(18)22-19(26)14-5-7-15(20)8-6-14/h2-8H,9-12H2,1H3,(H,22,26).
What are the key properties of N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-4-bromobenzamide?
N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-4-bromobenzamide 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)-3-chlorophenyl]-4-bromobenzamide is sourced from PubChem (CID 17176995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).