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

C18H19BrFN3O — CID 133440647

IUPAC4-bromo-2-fluoro-6-[4-(3-methylphenyl)piperazin-1-yl]benzamide
SMILESCc1cccc(N2CCN(c3cc(Br)cc(F)c3C(N)=O)CC2)c1
InChIInChI=1S/C18H19BrFN3O/c1-12-3-2-4-14(9-12)22-5-7-23(8-6-22)16-11-13(19)10-15(20)17(16)18(21)24/h2-4,9-11H,5-8H2,1H3,(H2,21,24)
InChIKeyRCFWPCSZLWANDN-UHFFFAOYSA-N
MW392.27 g/mol
LogP3.32
Rot. Bonds3

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

4-bromo-2-fluoro-6-[4-(3-methylphenyl)piperazin-1-yl]benzamide (PubChem CID 133440647) has the molecular formula C18H19BrFN3O and a molecular weight of 392.27 g/mol. Its IUPAC name is 4-bromo-2-fluoro-6-[4-(3-methylphenyl)piperazin-1-yl]benzamide.

Molecular Properties

Compound Name4-bromo-2-fluoro-6-[4-(3-methylphenyl)piperazin-1-yl]benzamide
PubChem CID133440647
Molecular FormulaC18H19BrFN3O
Molecular Weight392.27 g/mol
Exact Mass391.07
IUPAC Name4-bromo-2-fluoro-6-[4-(3-methylphenyl)piperazin-1-yl]benzamide
SMILESCc1cccc(N2CCN(c3cc(Br)cc(F)c3C(N)=O)CC2)c1
InChIInChI=1S/C18H19BrFN3O/c1-12-3-2-4-14(9-12)22-5-7-23(8-6-22)16-11-13(19)10-15(20)17(16)18(21)24/h2-4,9-11H,5-8H2,1H3,(H2,21,24)
InChIKeyRCFWPCSZLWANDN-UHFFFAOYSA-N
XLogP3.32
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.27
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2-fluoro-6-[4-(3-hydroxybenzoyl)piperazin-1-yl]benzamide
CID 133441367
4-bromo-2-[4-(2-ethoxyphenyl)piperazin-1-yl]-6-fluorobenzamide
CID 133423334
2-fluoro-6-[4-(3-methylphenyl)piperazin-1-yl]aniline
CID 60783032
4-bromo-2-fluoro-6-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]benzamide
CID 133423758
(3,4-difluorophenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 17465933
(5-bromo-2-hydroxyphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 27164936
(4-amino-3-methylphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 28748715
4-[4-(3-methylphenyl)piperazine-1-carbonyl]benzoic acid
CID 2051711
[4-(3-fluorophenyl)piperazin-1-yl]-(3-methylphenyl)methanone
CID 113079249
(4-bromo-1H-pyrrol-2-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 31689017
4-bromo-2-fluoro-6-[4-(oxan-4-yloxy)piperidin-1-yl]benzamide
CID 133441567
4-[4-(3-methylphenyl)piperazin-1-yl]benzoic acid
CID 43826187

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-6-[4-(3-methylphenyl)piperazin-1-yl]benzamide?
The IUPAC name of 4-bromo-2-fluoro-6-[4-(3-methylphenyl)piperazin-1-yl]benzamide (CID 133440647) is 4-bromo-2-fluoro-6-[4-(3-methylphenyl)piperazin-1-yl]benzamide.
What is the SMILES notation for 4-bromo-2-fluoro-6-[4-(3-methylphenyl)piperazin-1-yl]benzamide?
The canonical SMILES for 4-bromo-2-fluoro-6-[4-(3-methylphenyl)piperazin-1-yl]benzamide is Cc1cccc(N2CCN(c3cc(Br)cc(F)c3C(N)=O)CC2)c1.
What is the InChIKey of 4-bromo-2-fluoro-6-[4-(3-methylphenyl)piperazin-1-yl]benzamide?
The InChIKey is RCFWPCSZLWANDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrFN3O/c1-12-3-2-4-14(9-12)22-5-7-23(8-6-22)16-11-13(19)10-15(20)17(16)18(21)24/h2-4,9-11H,5-8H2,1H3,(H2,21,24).
What are the key properties of 4-bromo-2-fluoro-6-[4-(3-methylphenyl)piperazin-1-yl]benzamide?
4-bromo-2-fluoro-6-[4-(3-methylphenyl)piperazin-1-yl]benzamide has a molecular weight of 392.27 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-6-[4-(3-methylphenyl)piperazin-1-yl]benzamide is sourced from PubChem (CID 133440647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).