4-bromo-2-fluoro-6-[4-(3-hydroxybenzoyl)piperazin-1-yl]benzamide

C18H17BrFN3O3 — CID 133441367

IUPAC4-bromo-2-fluoro-6-[4-(3-hydroxybenzoyl)piperazin-1-yl]benzamide
SMILESNC(=O)c1c(F)cc(Br)cc1N1CCN(C(=O)c2cccc(O)c2)CC1
InChIInChI=1S/C18H17BrFN3O3/c19-12-9-14(20)16(17(21)25)15(10-12)22-4-6-23(7-5-22)18(26)11-2-1-3-13(24)8-11/h1-3,8-10,24H,4-7H2,(H2,21,25)
InChIKeyHMJVWQCQHQHITL-UHFFFAOYSA-N
MW422.25 g/mol
LogP2.36
Rot. Bonds3

About 4-bromo-2-fluoro-6-[4-(3-hydroxybenzoyl)piperazin-1-yl]benzamide

4-bromo-2-fluoro-6-[4-(3-hydroxybenzoyl)piperazin-1-yl]benzamide (PubChem CID 133441367) has the molecular formula C18H17BrFN3O3 and a molecular weight of 422.25 g/mol. Its IUPAC name is 4-bromo-2-fluoro-6-[4-(3-hydroxybenzoyl)piperazin-1-yl]benzamide.

Molecular Properties

Compound Name4-bromo-2-fluoro-6-[4-(3-hydroxybenzoyl)piperazin-1-yl]benzamide
PubChem CID133441367
Molecular FormulaC18H17BrFN3O3
Molecular Weight422.25 g/mol
Exact Mass421.04
IUPAC Name4-bromo-2-fluoro-6-[4-(3-hydroxybenzoyl)piperazin-1-yl]benzamide
SMILESNC(=O)c1c(F)cc(Br)cc1N1CCN(C(=O)c2cccc(O)c2)CC1
InChIInChI=1S/C18H17BrFN3O3/c19-12-9-14(20)16(17(21)25)15(10-12)22-4-6-23(7-5-22)18(26)11-2-1-3-13(24)8-11/h1-3,8-10,24H,4-7H2,(H2,21,25)
InChIKeyHMJVWQCQHQHITL-UHFFFAOYSA-N
XLogP2.36
TPSA86.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.25
LogP ≤ 52.36
H-Bond Donors ≤ 52
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-(3-bromobenzoyl)piperazin-1-yl]-(3-hydroxyphenyl)methanone
CID 52859810
2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-4-bromo-6-fluorobenzamide
CID 133440629
4-bromo-2-[4-(2-ethoxyphenyl)piperazin-1-yl]-6-fluorobenzamide
CID 133423334
[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]-(3-hydroxyphenyl)methanone
CID 108537079
4-bromo-2-fluoro-6-[4-(oxan-4-yloxy)piperidin-1-yl]benzamide
CID 133441567
[4-(2-fluorophenyl)piperazin-1-yl]-(3-hydroxyphenyl)methanethione
CID 1293347
(3-bromophenyl)-(4-phenylpiperazin-1-yl)methanone
CID 1355446
(4-chlorophenyl)-[4-(3-hydroxybenzoyl)-1,4-diazepan-1-yl]methanone
CID 108544821
[4-(bromomethyl)piperidin-1-yl]-(3-hydroxyphenyl)methanone
CID 80677526
4-bromo-2-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-6-fluorobenzamide
CID 133441348
4-bromo-2-fluoro-6-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]benzamide
CID 133423758

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-6-[4-(3-hydroxybenzoyl)piperazin-1-yl]benzamide?
The IUPAC name of 4-bromo-2-fluoro-6-[4-(3-hydroxybenzoyl)piperazin-1-yl]benzamide (CID 133441367) is 4-bromo-2-fluoro-6-[4-(3-hydroxybenzoyl)piperazin-1-yl]benzamide.
What is the SMILES notation for 4-bromo-2-fluoro-6-[4-(3-hydroxybenzoyl)piperazin-1-yl]benzamide?
The canonical SMILES for 4-bromo-2-fluoro-6-[4-(3-hydroxybenzoyl)piperazin-1-yl]benzamide is NC(=O)c1c(F)cc(Br)cc1N1CCN(C(=O)c2cccc(O)c2)CC1.
What is the InChIKey of 4-bromo-2-fluoro-6-[4-(3-hydroxybenzoyl)piperazin-1-yl]benzamide?
The InChIKey is HMJVWQCQHQHITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrFN3O3/c19-12-9-14(20)16(17(21)25)15(10-12)22-4-6-23(7-5-22)18(26)11-2-1-3-13(24)8-11/h1-3,8-10,24H,4-7H2,(H2,21,25).
What are the key properties of 4-bromo-2-fluoro-6-[4-(3-hydroxybenzoyl)piperazin-1-yl]benzamide?
4-bromo-2-fluoro-6-[4-(3-hydroxybenzoyl)piperazin-1-yl]benzamide has a molecular weight of 422.25 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-6-[4-(3-hydroxybenzoyl)piperazin-1-yl]benzamide is sourced from PubChem (CID 133441367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).