3-bromo-5-methoxy-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-propoxybenzamide

C23H30BrN3O3 — CID 24535262

IUPAC3-bromo-5-methoxy-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-propoxybenzamide
SMILESCCCOc1c(Br)cc(C(=O)Nc2ccc(N3CCN(C)CC3)c(C)c2)cc1OC
InChIInChI=1S/C23H30BrN3O3/c1-5-12-30-22-19(24)14-17(15-21(22)29-4)23(28)25-18-6-7-20(16(2)13-18)27-10-8-26(3)9-11-27/h6-7,13-15H,5,8-12H2,1-4H3,(H,25,28)
InChIKeyLXBWCWXPVYJTSQ-UHFFFAOYSA-N
MW476.42 g/mol
LogP4.56
Rot. Bonds7

About 3-bromo-5-methoxy-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-propoxybenzamide

3-bromo-5-methoxy-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-propoxybenzamide (PubChem CID 24535262) has the molecular formula C23H30BrN3O3 and a molecular weight of 476.42 g/mol. Its IUPAC name is 3-bromo-5-methoxy-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-propoxybenzamide.

Molecular Properties

Compound Name3-bromo-5-methoxy-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-propoxybenzamide
PubChem CID24535262
Molecular FormulaC23H30BrN3O3
Molecular Weight476.42 g/mol
Exact Mass475.15
IUPAC Name3-bromo-5-methoxy-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-propoxybenzamide
SMILESCCCOc1c(Br)cc(C(=O)Nc2ccc(N3CCN(C)CC3)c(C)c2)cc1OC
InChIInChI=1S/C23H30BrN3O3/c1-5-12-30-22-19(24)14-17(15-21(22)29-4)23(28)25-18-6-7-20(16(2)13-18)27-10-8-26(3)9-11-27/h6-7,13-15H,5,8-12H2,1-4H3,(H,25,28)
InChIKeyLXBWCWXPVYJTSQ-UHFFFAOYSA-N
XLogP4.56
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.42
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-bromo-5-methoxy-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-propoxybenzamide 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-bromo-N-(3,4-dimethylphenyl)-5-methoxy-4-propoxybenzamide
CID 5030458
3-bromo-N-(4-bromophenyl)-5-methoxy-4-propoxybenzamide
CID 5213088
3-bromo-5-methoxy-N-phenyl-4-propoxybenzamide
CID 3931758
3-bromo-N-(4-tert-butylphenyl)-5-methoxy-4-propoxybenzamide
CID 7913907
4-(difluoromethoxy)-3-methoxy-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 24535249
3-bromo-N-(3-cyanophenyl)-5-methoxy-4-propoxybenzamide
CID 2116480
3-bromo-5-methoxy-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-4-propoxybenzamide
CID 46466063
2-bromo-5-methoxy-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 24535273
3-bromo-N-[3-(methanesulfonamido)-4-methoxyphenyl]-5-methoxy-4-propoxybenzamide
CID 37065224
N-(6-amino-3-pyridinyl)-3-bromo-5-methoxy-4-propoxybenzamide;hydrochloride
CID 119515602
3-bromo-5-methoxy-4-propoxy-N-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 55812552
3-bromo-N,5-dimethoxy-4-propoxybenzamide
CID 51279320

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methoxy-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-propoxybenzamide?
The IUPAC name of 3-bromo-5-methoxy-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-propoxybenzamide (CID 24535262) is 3-bromo-5-methoxy-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-propoxybenzamide.
What is the SMILES notation for 3-bromo-5-methoxy-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-propoxybenzamide?
The canonical SMILES for 3-bromo-5-methoxy-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-propoxybenzamide is CCCOc1c(Br)cc(C(=O)Nc2ccc(N3CCN(C)CC3)c(C)c2)cc1OC.
What is the InChIKey of 3-bromo-5-methoxy-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-propoxybenzamide?
The InChIKey is LXBWCWXPVYJTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30BrN3O3/c1-5-12-30-22-19(24)14-17(15-21(22)29-4)23(28)25-18-6-7-20(16(2)13-18)27-10-8-26(3)9-11-27/h6-7,13-15H,5,8-12H2,1-4H3,(H,25,28).
What are the key properties of 3-bromo-5-methoxy-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-propoxybenzamide?
3-bromo-5-methoxy-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-propoxybenzamide has a molecular weight of 476.42 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-methoxy-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-propoxybenzamide is sourced from PubChem (CID 24535262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).