3,5-dibromo-N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-methoxybenzamide

C20H23Br2N3O2 — CID 21216580

IUPAC3,5-dibromo-N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-methoxybenzamide
SMILESCCN1CCN(c2ccc(NC(=O)c3cc(Br)cc(Br)c3OC)cc2)CC1
InChIInChI=1S/C20H23Br2N3O2/c1-3-24-8-10-25(11-9-24)16-6-4-15(5-7-16)23-20(26)17-12-14(21)13-18(22)19(17)27-2/h4-7,12-13H,3,8-11H2,1-2H3,(H,23,26)
InChIKeySTSTXWTVKOXQRL-UHFFFAOYSA-N
MW497.23 g/mol
LogP4.61
Rot. Bonds5

About 3,5-dibromo-N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-methoxybenzamide

3,5-dibromo-N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-methoxybenzamide (PubChem CID 21216580) has the molecular formula C20H23Br2N3O2 and a molecular weight of 497.23 g/mol. Its IUPAC name is 3,5-dibromo-N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-methoxybenzamide.

Molecular Properties

Compound Name3,5-dibromo-N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-methoxybenzamide
PubChem CID21216580
Molecular FormulaC20H23Br2N3O2
Molecular Weight497.23 g/mol
Exact Mass495.02
IUPAC Name3,5-dibromo-N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-methoxybenzamide
SMILESCCN1CCN(c2ccc(NC(=O)c3cc(Br)cc(Br)c3OC)cc2)CC1
InChIInChI=1S/C20H23Br2N3O2/c1-3-24-8-10-25(11-9-24)16-6-4-15(5-7-16)23-20(26)17-12-14(21)13-18(22)19(17)27-2/h4-7,12-13H,3,8-11H2,1-2H3,(H,23,26)
InChIKeySTSTXWTVKOXQRL-UHFFFAOYSA-N
XLogP4.61
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.23
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 3,5-dibromo-N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-methoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-dibromo-N-[4-[(3,5-dibromo-2-methoxybenzoyl)amino]phenyl]-2-methoxybenzamide
CID 5142163
3,5-dibromo-2-methoxy-N-[4-[(2R)-2-methylpiperidin-1-yl]phenyl]benzamide
CID 40864687
5-bromo-2-methoxy-3-methyl-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide
CID 1299265
5-bromo-2-methoxy-3-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]benzamide
CID 3967891
3,5-dibromo-N-[4-[(2R)-butan-2-yl]phenyl]-2-methoxybenzamide
CID 26019445
N-[4-(4-ethylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide
CID 7342466
N-[4-(4-benzylpiperazin-1-yl)phenyl]-5-bromo-2-methoxybenzamide
CID 4500692
3-bromo-N-[[4-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]-4-methoxybenzamide
CID 21216627
N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-hydroxy-5-methylbenzamide
CID 17403854
3,5-dibromo-2-iodo-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 4508199
3-chloro-N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-methoxybenzamide
CID 7340704
propan-2-yl 4-[(3,5-dibromo-2-methoxybenzoyl)amino]benzoate
CID 17050274

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-methoxybenzamide?
The IUPAC name of 3,5-dibromo-N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-methoxybenzamide (CID 21216580) is 3,5-dibromo-N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-methoxybenzamide.
What is the SMILES notation for 3,5-dibromo-N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-methoxybenzamide?
The canonical SMILES for 3,5-dibromo-N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-methoxybenzamide is CCN1CCN(c2ccc(NC(=O)c3cc(Br)cc(Br)c3OC)cc2)CC1.
What is the InChIKey of 3,5-dibromo-N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-methoxybenzamide?
The InChIKey is STSTXWTVKOXQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Br2N3O2/c1-3-24-8-10-25(11-9-24)16-6-4-15(5-7-16)23-20(26)17-12-14(21)13-18(22)19(17)27-2/h4-7,12-13H,3,8-11H2,1-2H3,(H,23,26).
What are the key properties of 3,5-dibromo-N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-methoxybenzamide?
3,5-dibromo-N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-methoxybenzamide has a molecular weight of 497.23 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-methoxybenzamide is sourced from PubChem (CID 21216580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).