3-bromo-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-N-(furan-2-ylmethyl)benzamide

C21H26BrN3O3 — CID 42703548

IUPAC3-bromo-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-N-(furan-2-ylmethyl)benzamide
SMILESCCN1CCN(C(=O)CCN(Cc2ccco2)C(=O)c2cccc(Br)c2)CC1
InChIInChI=1S/C21H26BrN3O3/c1-2-23-10-12-24(13-11-23)20(26)8-9-25(16-19-7-4-14-28-19)21(27)17-5-3-6-18(22)15-17/h3-7,14-15H,2,8-13,16H2,1H3
InChIKeyICLUNTBFPMVPST-UHFFFAOYSA-N
MW448.36 g/mol
LogP3.24
Rot. Bonds7

About 3-bromo-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-N-(furan-2-ylmethyl)benzamide

3-bromo-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-N-(furan-2-ylmethyl)benzamide (PubChem CID 42703548) has the molecular formula C21H26BrN3O3 and a molecular weight of 448.36 g/mol. Its IUPAC name is 3-bromo-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-bromo-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-N-(furan-2-ylmethyl)benzamide
PubChem CID42703548
Molecular FormulaC21H26BrN3O3
Molecular Weight448.36 g/mol
Exact Mass447.12
IUPAC Name3-bromo-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-N-(furan-2-ylmethyl)benzamide
SMILESCCN1CCN(C(=O)CCN(Cc2ccco2)C(=O)c2cccc(Br)c2)CC1
InChIInChI=1S/C21H26BrN3O3/c1-2-23-10-12-24(13-11-23)20(26)8-9-25(16-19-7-4-14-28-19)21(27)17-5-3-6-18(22)15-17/h3-7,14-15H,2,8-13,16H2,1H3
InChIKeyICLUNTBFPMVPST-UHFFFAOYSA-N
XLogP3.24
TPSA57.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.36
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-3-bromo-N-(furan-2-ylmethyl)benzamide
CID 42703531
N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-N-(furan-2-ylmethyl)acetamide
CID 113118002
3-bromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide
CID 60654625
3-bromo-N-[2-(4-methylpiperazin-1-yl)ethyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779658
N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-N-(furan-2-ylmethyl)-2-[3-(trifluoromethyl)anilino]-1,3-thiazole-4-carboxamide
CID 46136331
3-bromo-N-[(3-methylphenyl)methyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779708
N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-4-ethyl-N-(furan-2-ylmethyl)benzamide
CID 42703534
3-bromo-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 121084699
N-[2-[acetyl(furan-2-ylmethyl)amino]ethyl]-3-bromobenzamide
CID 113053874
N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-N-(furan-2-ylmethyl)furan-3-carboxamide
CID 42779610
1-[4-(3-bromobenzoyl)piperazin-1-yl]-3-(dimethylamino)propan-1-one
CID 110603342
N-[3-(4-benzhydrylpiperazin-1-yl)-3-oxopropyl]-N-(furan-2-ylmethyl)-2,5-dimethylfuran-3-carboxamide
CID 1030449

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 3-bromo-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-N-(furan-2-ylmethyl)benzamide (CID 42703548) is 3-bromo-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 3-bromo-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 3-bromo-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-N-(furan-2-ylmethyl)benzamide is CCN1CCN(C(=O)CCN(Cc2ccco2)C(=O)c2cccc(Br)c2)CC1.
What is the InChIKey of 3-bromo-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-N-(furan-2-ylmethyl)benzamide?
The InChIKey is ICLUNTBFPMVPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26BrN3O3/c1-2-23-10-12-24(13-11-23)20(26)8-9-25(16-19-7-4-14-28-19)21(27)17-5-3-6-18(22)15-17/h3-7,14-15H,2,8-13,16H2,1H3.
What are the key properties of 3-bromo-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-N-(furan-2-ylmethyl)benzamide?
3-bromo-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-N-(furan-2-ylmethyl)benzamide has a molecular weight of 448.36 g/mol, XLogP of 3.24, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 42703548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).