2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-4-bromo-6-fluorobenzamide

C19H18BrF2N3O2 — CID 133440629

IUPAC2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-4-bromo-6-fluorobenzamide
SMILESCC(=O)c1ccc(N2CCN(c3cc(Br)cc(F)c3C(N)=O)CC2)c(F)c1
InChIInChI=1S/C19H18BrF2N3O2/c1-11(26)12-2-3-16(14(21)8-12)24-4-6-25(7-5-24)17-10-13(20)9-15(22)18(17)19(23)27/h2-3,8-10H,4-7H2,1H3,(H2,23,27)
InChIKeyYHQUJNOTFGXYKC-UHFFFAOYSA-N
MW438.27 g/mol
LogP3.36
Rot. Bonds4

About 2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-4-bromo-6-fluorobenzamide

2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-4-bromo-6-fluorobenzamide (PubChem CID 133440629) has the molecular formula C19H18BrF2N3O2 and a molecular weight of 438.27 g/mol. Its IUPAC name is 2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-4-bromo-6-fluorobenzamide.

Molecular Properties

Compound Name2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-4-bromo-6-fluorobenzamide
PubChem CID133440629
Molecular FormulaC19H18BrF2N3O2
Molecular Weight438.27 g/mol
Exact Mass437.06
IUPAC Name2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-4-bromo-6-fluorobenzamide
SMILESCC(=O)c1ccc(N2CCN(c3cc(Br)cc(F)c3C(N)=O)CC2)c(F)c1
InChIInChI=1S/C19H18BrF2N3O2/c1-11(26)12-2-3-16(14(21)8-12)24-4-6-25(7-5-24)17-10-13(20)9-15(22)18(17)19(23)27/h2-3,8-10H,4-7H2,1H3,(H2,23,27)
InChIKeyYHQUJNOTFGXYKC-UHFFFAOYSA-N
XLogP3.36
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.27
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-2-fluoro-6-[4-(3-methylphenyl)piperazin-1-yl]benzamide
CID 133440647
4-bromo-2-fluoro-6-[4-(3-hydroxybenzoyl)piperazin-1-yl]benzamide
CID 133441367
4-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide
CID 133313517
4-bromo-2-[4-(2-ethoxyphenyl)piperazin-1-yl]-6-fluorobenzamide
CID 133423334
1-[4-[4-(3-aminobenzoyl)piperazin-1-yl]-3-fluorophenyl]ethanone;dihydrochloride
CID 119836988
[2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 4-bromobenzoate
CID 41165083
1-[3-fluoro-4-[4-(3-methylbenzoyl)piperazin-1-yl]phenyl]ethanone
CID 18098126
1-[4-(4-tert-butylpiperidin-1-yl)-3-fluorophenyl]ethanone
CID 62091090
(2R)-1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-aminopropan-1-one;dihydrochloride
CID 119836978
1-[4-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-3-fluorophenyl]ethanone;dihydrochloride
CID 119836968
1-[3-fluoro-4-[4-(2,3,5-trichloro-6-hydroxybenzoyl)piperazin-1-yl]phenyl]ethanone
CID 112813678
1-[4-[4-(1,5-dimethylpyrrole-2-carbonyl)piperazin-1-yl]-3-fluorophenyl]ethanone
CID 31668550

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-4-bromo-6-fluorobenzamide?
The IUPAC name of 2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-4-bromo-6-fluorobenzamide (CID 133440629) is 2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-4-bromo-6-fluorobenzamide.
What is the SMILES notation for 2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-4-bromo-6-fluorobenzamide?
The canonical SMILES for 2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-4-bromo-6-fluorobenzamide is CC(=O)c1ccc(N2CCN(c3cc(Br)cc(F)c3C(N)=O)CC2)c(F)c1.
What is the InChIKey of 2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-4-bromo-6-fluorobenzamide?
The InChIKey is YHQUJNOTFGXYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrF2N3O2/c1-11(26)12-2-3-16(14(21)8-12)24-4-6-25(7-5-24)17-10-13(20)9-15(22)18(17)19(23)27/h2-3,8-10H,4-7H2,1H3,(H2,23,27).
What are the key properties of 2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-4-bromo-6-fluorobenzamide?
2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-4-bromo-6-fluorobenzamide has a molecular weight of 438.27 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-4-bromo-6-fluorobenzamide is sourced from PubChem (CID 133440629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).