3-[(3-bromobenzoyl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide

C21H24BrN3O2 — CID 112834244

IUPAC3-[(3-bromobenzoyl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
SMILESCN1CCC(N(C)C(=O)c2cccc(NC(=O)c3cccc(Br)c3)c2)CC1
InChIInChI=1S/C21H24BrN3O2/c1-24-11-9-19(10-12-24)25(2)21(27)16-6-4-8-18(14-16)23-20(26)15-5-3-7-17(22)13-15/h3-8,13-14,19H,9-12H2,1-2H3,(H,23,26)
InChIKeyOWDHUNVNFVMSGQ-UHFFFAOYSA-N
MW430.35 g/mol
LogP3.87
Rot. Bonds4

About 3-[(3-bromobenzoyl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide

3-[(3-bromobenzoyl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide (PubChem CID 112834244) has the molecular formula C21H24BrN3O2 and a molecular weight of 430.35 g/mol. Its IUPAC name is 3-[(3-bromobenzoyl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name3-[(3-bromobenzoyl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
PubChem CID112834244
Molecular FormulaC21H24BrN3O2
Molecular Weight430.35 g/mol
Exact Mass429.11
IUPAC Name3-[(3-bromobenzoyl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
SMILESCN1CCC(N(C)C(=O)c2cccc(NC(=O)c3cccc(Br)c3)c2)CC1
InChIInChI=1S/C21H24BrN3O2/c1-24-11-9-19(10-12-24)25(2)21(27)16-6-4-8-18(14-16)23-20(26)15-5-3-7-17(22)13-15/h3-8,13-14,19H,9-12H2,1-2H3,(H,23,26)
InChIKeyOWDHUNVNFVMSGQ-UHFFFAOYSA-N
XLogP3.87
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.35
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(3-bromobenzoyl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide 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-cyclopentyl-N-methylbenzamide
CID 43213208
3-bromo-N-cyclohexyl-N-methylbenzamide
CID 19166286
3,5-dibromo-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 113349444
3-(carbamoylamino)-N-cyclopropyl-N-methylbenzamide
CID 47415616
N-[4-[acetyl(cyclopropyl)amino]phenyl]-3-bromobenzamide
CID 113094048
N-methyl-N-(1-methylpiperidin-4-yl)-3-propan-2-yloxybenzamide
CID 170788099
1-(3-bromophenyl)-2-[methyl-(1-methylpiperidin-4-yl)amino]ethanone
CID 43227315
3-(carbamoylamino)-N-cyclopentyl-N-methylbenzamide
CID 47128702
3-cyano-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 24706025
3-bromo-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylbenzamide
CID 7259724
N-cyclobutyl-N-methyl-3-(methylamino)benzamide
CID 115160881
N-cyclopropyl-3-hydrazinyl-N-methylbenzamide
CID 91201306

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromobenzoyl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide?
The IUPAC name of 3-[(3-bromobenzoyl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide (CID 112834244) is 3-[(3-bromobenzoyl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide.
What is the SMILES notation for 3-[(3-bromobenzoyl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide?
The canonical SMILES for 3-[(3-bromobenzoyl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide is CN1CCC(N(C)C(=O)c2cccc(NC(=O)c3cccc(Br)c3)c2)CC1.
What is the InChIKey of 3-[(3-bromobenzoyl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide?
The InChIKey is OWDHUNVNFVMSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24BrN3O2/c1-24-11-9-19(10-12-24)25(2)21(27)16-6-4-8-18(14-16)23-20(26)15-5-3-7-17(22)13-15/h3-8,13-14,19H,9-12H2,1-2H3,(H,23,26).
What are the key properties of 3-[(3-bromobenzoyl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide?
3-[(3-bromobenzoyl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide has a molecular weight of 430.35 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromobenzoyl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide is sourced from PubChem (CID 112834244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).