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

C19H21BrFN3O2 — CID 133423334

IUPAC4-bromo-2-[4-(2-ethoxyphenyl)piperazin-1-yl]-6-fluorobenzamide
SMILESCCOc1ccccc1N1CCN(c2cc(Br)cc(F)c2C(N)=O)CC1
InChIInChI=1S/C19H21BrFN3O2/c1-2-26-17-6-4-3-5-15(17)23-7-9-24(10-8-23)16-12-13(20)11-14(21)18(16)19(22)25/h3-6,11-12H,2,7-10H2,1H3,(H2,22,25)
InChIKeyBUHFHBPGHIYLAQ-UHFFFAOYSA-N
MW422.30 g/mol
LogP3.41
Rot. Bonds5

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

4-bromo-2-[4-(2-ethoxyphenyl)piperazin-1-yl]-6-fluorobenzamide (PubChem CID 133423334) has the molecular formula C19H21BrFN3O2 and a molecular weight of 422.30 g/mol. Its IUPAC name is 4-bromo-2-[4-(2-ethoxyphenyl)piperazin-1-yl]-6-fluorobenzamide.

Molecular Properties

Compound Name4-bromo-2-[4-(2-ethoxyphenyl)piperazin-1-yl]-6-fluorobenzamide
PubChem CID133423334
Molecular FormulaC19H21BrFN3O2
Molecular Weight422.30 g/mol
Exact Mass421.08
IUPAC Name4-bromo-2-[4-(2-ethoxyphenyl)piperazin-1-yl]-6-fluorobenzamide
SMILESCCOc1ccccc1N1CCN(c2cc(Br)cc(F)c2C(N)=O)CC1
InChIInChI=1S/C19H21BrFN3O2/c1-2-26-17-6-4-3-5-15(17)23-7-9-24(10-8-23)16-12-13(20)11-14(21)18(16)19(22)25/h3-6,11-12H,2,7-10H2,1H3,(H2,22,25)
InChIKeyBUHFHBPGHIYLAQ-UHFFFAOYSA-N
XLogP3.41
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.30
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-bromo-2-hydroxyphenyl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone
CID 31619065
[4-(2-ethoxyphenyl)piperazin-1-yl]-(3-fluorophenyl)methanone
CID 752975
4-bromo-2-fluoro-6-[4-(3-hydroxybenzoyl)piperazin-1-yl]benzamide
CID 133441367
(4-bromo-2,6-difluorophenyl)-(2-ethoxyphenyl)methanone
CID 114971145
(2R)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]propanamide
CID 8691494
[4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]phenyl]-phenylmethanone
CID 9415493
[4-(2-ethoxyphenyl)piperazin-1-yl]-(3-hydroxynaphthalen-2-yl)methanone
CID 35514407
3-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-1-(2-fluorophenyl)-6-methylpyridazin-4-one
CID 35514756
N-(3,4-difluorophenyl)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]acetamide
CID 29325843
1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-(3-fluorophenyl)ethanone
CID 113077388
[4-(2-ethoxyphenyl)piperazin-1-yl]-quinoxalin-6-ylmethanone
CID 9415301
1-(2-ethoxyphenyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid
CID 117003201

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[4-(2-ethoxyphenyl)piperazin-1-yl]-6-fluorobenzamide?
The IUPAC name of 4-bromo-2-[4-(2-ethoxyphenyl)piperazin-1-yl]-6-fluorobenzamide (CID 133423334) is 4-bromo-2-[4-(2-ethoxyphenyl)piperazin-1-yl]-6-fluorobenzamide.
What is the SMILES notation for 4-bromo-2-[4-(2-ethoxyphenyl)piperazin-1-yl]-6-fluorobenzamide?
The canonical SMILES for 4-bromo-2-[4-(2-ethoxyphenyl)piperazin-1-yl]-6-fluorobenzamide is CCOc1ccccc1N1CCN(c2cc(Br)cc(F)c2C(N)=O)CC1.
What is the InChIKey of 4-bromo-2-[4-(2-ethoxyphenyl)piperazin-1-yl]-6-fluorobenzamide?
The InChIKey is BUHFHBPGHIYLAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrFN3O2/c1-2-26-17-6-4-3-5-15(17)23-7-9-24(10-8-23)16-12-13(20)11-14(21)18(16)19(22)25/h3-6,11-12H,2,7-10H2,1H3,(H2,22,25).
What are the key properties of 4-bromo-2-[4-(2-ethoxyphenyl)piperazin-1-yl]-6-fluorobenzamide?
4-bromo-2-[4-(2-ethoxyphenyl)piperazin-1-yl]-6-fluorobenzamide has a molecular weight of 422.30 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[4-(2-ethoxyphenyl)piperazin-1-yl]-6-fluorobenzamide is sourced from PubChem (CID 133423334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).