4-bromo-3,5-dimethoxy-N-pyridin-3-ylbenzamide

C14H13BrN2O3 — CID 27165075

IUPAC4-bromo-3,5-dimethoxy-N-pyridin-3-ylbenzamide
SMILESCOc1cc(C(=O)Nc2cccnc2)cc(OC)c1Br
InChIInChI=1S/C14H13BrN2O3/c1-19-11-6-9(7-12(20-2)13(11)15)14(18)17-10-4-3-5-16-8-10/h3-8H,1-2H3,(H,17,18)
InChIKeyLFWLFWQDZZLKBG-UHFFFAOYSA-N
MW337.17 g/mol
LogP3.11
Rot. Bonds4

About 4-bromo-3,5-dimethoxy-N-pyridin-3-ylbenzamide

4-bromo-3,5-dimethoxy-N-pyridin-3-ylbenzamide (PubChem CID 27165075) has the molecular formula C14H13BrN2O3 and a molecular weight of 337.17 g/mol. Its IUPAC name is 4-bromo-3,5-dimethoxy-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name4-bromo-3,5-dimethoxy-N-pyridin-3-ylbenzamide
PubChem CID27165075
Molecular FormulaC14H13BrN2O3
Molecular Weight337.17 g/mol
Exact Mass336.01
IUPAC Name4-bromo-3,5-dimethoxy-N-pyridin-3-ylbenzamide
SMILESCOc1cc(C(=O)Nc2cccnc2)cc(OC)c1Br
InChIInChI=1S/C14H13BrN2O3/c1-19-11-6-9(7-12(20-2)13(11)15)14(18)17-10-4-3-5-16-8-10/h3-8H,1-2H3,(H,17,18)
InChIKeyLFWLFWQDZZLKBG-UHFFFAOYSA-N
XLogP3.11
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.17
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-bromo-3,5-dimethoxy-N-pyridin-3-ylbenzamide 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

4-bromo-N-(3-bromophenyl)-3,5-dimethoxybenzamide
CID 26687629
3-fluoro-4-methoxy-N-pyridin-3-ylbenzamide
CID 25343484
2-methoxy-N-pyridin-3-ylpyridine-4-carboxamide
CID 84580431
3-chloro-4-ethoxy-5-methoxy-N-pyridin-3-ylbenzamide
CID 25343284
4-bromo-3,5-dimethoxy-N-[3-(methylcarbamoyl)phenyl]benzamide
CID 37007263
N-[3-[[(4-bromo-3,5-dimethoxybenzoyl)amino]methyl]phenyl]pyridine-4-carboxamide
CID 55903083
1-N,3-N-dipyridin-3-ylbenzene-1,3-dicarboxamide
CID 679756
3,5-dichloro-N-pyridin-3-ylbenzamide
CID 1245821
5-fluoro-2-methoxy-N-pyridin-3-ylbenzamide
CID 34947016
4-bromo-N-(3-cyanophenyl)-3,5-dimethoxybenzamide
CID 9083182
4-bromo-3,5-dimethoxy-N-(1-methylpyrazol-4-yl)benzamide
CID 32606056
4-methoxy-1-N-(4-phenylphenyl)-3-N-pyridin-3-ylbenzene-1,3-dicarboxamide
CID 122500865

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3,5-dimethoxy-N-pyridin-3-ylbenzamide?
The IUPAC name of 4-bromo-3,5-dimethoxy-N-pyridin-3-ylbenzamide (CID 27165075) is 4-bromo-3,5-dimethoxy-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 4-bromo-3,5-dimethoxy-N-pyridin-3-ylbenzamide?
The canonical SMILES for 4-bromo-3,5-dimethoxy-N-pyridin-3-ylbenzamide is COc1cc(C(=O)Nc2cccnc2)cc(OC)c1Br.
What is the InChIKey of 4-bromo-3,5-dimethoxy-N-pyridin-3-ylbenzamide?
The InChIKey is LFWLFWQDZZLKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O3/c1-19-11-6-9(7-12(20-2)13(11)15)14(18)17-10-4-3-5-16-8-10/h3-8H,1-2H3,(H,17,18).
What are the key properties of 4-bromo-3,5-dimethoxy-N-pyridin-3-ylbenzamide?
4-bromo-3,5-dimethoxy-N-pyridin-3-ylbenzamide has a molecular weight of 337.17 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3,5-dimethoxy-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 27165075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).