4-[(2-bromophenoxy)methyl]-N-(6-methyl-2-pyridinyl)benzamide

C20H17BrN2O2 — CID 1039541

IUPAC4-[(2-bromophenoxy)methyl]-N-(6-methyl-2-pyridinyl)benzamide
SMILESCc1cccc(NC(=O)c2ccc(COc3ccccc3Br)cc2)n1
InChIInChI=1S/C20H17BrN2O2/c1-14-5-4-8-19(22-14)23-20(24)16-11-9-15(10-12-16)13-25-18-7-3-2-6-17(18)21/h2-12H,13H2,1H3,(H,22,23,24)
InChIKeyCZTGVVKOQNWTHT-UHFFFAOYSA-N
MW397.27 g/mol
LogP4.98
Rot. Bonds5

About 4-[(2-bromophenoxy)methyl]-N-(6-methyl-2-pyridinyl)benzamide

4-[(2-bromophenoxy)methyl]-N-(6-methyl-2-pyridinyl)benzamide (PubChem CID 1039541) has the molecular formula C20H17BrN2O2 and a molecular weight of 397.27 g/mol. Its IUPAC name is 4-[(2-bromophenoxy)methyl]-N-(6-methyl-2-pyridinyl)benzamide.

Molecular Properties

Compound Name4-[(2-bromophenoxy)methyl]-N-(6-methyl-2-pyridinyl)benzamide
PubChem CID1039541
Molecular FormulaC20H17BrN2O2
Molecular Weight397.27 g/mol
Exact Mass396.05
IUPAC Name4-[(2-bromophenoxy)methyl]-N-(6-methyl-2-pyridinyl)benzamide
SMILESCc1cccc(NC(=O)c2ccc(COc3ccccc3Br)cc2)n1
InChIInChI=1S/C20H17BrN2O2/c1-14-5-4-8-19(22-14)23-20(24)16-11-9-15(10-12-16)13-25-18-7-3-2-6-17(18)21/h2-12H,13H2,1H3,(H,22,23,24)
InChIKeyCZTGVVKOQNWTHT-UHFFFAOYSA-N
XLogP4.98
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.27
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[(2-bromophenoxy)methyl]-N-(6-methyl-2-pyridinyl)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

N-(6-methyl-2-pyridinyl)-4-phenylmethoxybenzamide
CID 35036020
N-(6-methyl-2-pyridinyl)-4-(pyridin-4-ylmethoxy)benzamide
CID 36998699
4-[(2-bromophenoxy)methyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 19393367
N-(6-methyl-2-pyridinyl)-4-(methylsulfanylmethyl)benzamide
CID 18107198
4-[(2-bromophenoxy)methyl]-N-(4-carbamoylphenyl)benzamide
CID 4617873
4-[[4-[(2-bromophenoxy)methyl]benzoyl]amino]-1-methylpyrazole-5-carboxylic acid
CID 19405997
4-[(2-bromophenoxy)methyl]-N-[1-[(2-chloro-4-fluorophenyl)methyl]-5-methylpyrazol-3-yl]benzamide
CID 19345449
4-[(2-bromophenoxy)methyl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19403091
4-[(2-bromophenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 19400049
4-[[4-[(2-bromophenoxy)methyl]benzoyl]amino]-1-methylpyrazole-3-carboxamide
CID 4766875
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(6-methyl-2-pyridinyl)benzamide
CID 32700452
4-(4-fluorophenoxy)-N-(6-methyl-2-pyridinyl)benzamide
CID 35505697

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromophenoxy)methyl]-N-(6-methyl-2-pyridinyl)benzamide?
The IUPAC name of 4-[(2-bromophenoxy)methyl]-N-(6-methyl-2-pyridinyl)benzamide (CID 1039541) is 4-[(2-bromophenoxy)methyl]-N-(6-methyl-2-pyridinyl)benzamide.
What is the SMILES notation for 4-[(2-bromophenoxy)methyl]-N-(6-methyl-2-pyridinyl)benzamide?
The canonical SMILES for 4-[(2-bromophenoxy)methyl]-N-(6-methyl-2-pyridinyl)benzamide is Cc1cccc(NC(=O)c2ccc(COc3ccccc3Br)cc2)n1.
What is the InChIKey of 4-[(2-bromophenoxy)methyl]-N-(6-methyl-2-pyridinyl)benzamide?
The InChIKey is CZTGVVKOQNWTHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrN2O2/c1-14-5-4-8-19(22-14)23-20(24)16-11-9-15(10-12-16)13-25-18-7-3-2-6-17(18)21/h2-12H,13H2,1H3,(H,22,23,24).
What are the key properties of 4-[(2-bromophenoxy)methyl]-N-(6-methyl-2-pyridinyl)benzamide?
4-[(2-bromophenoxy)methyl]-N-(6-methyl-2-pyridinyl)benzamide has a molecular weight of 397.27 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromophenoxy)methyl]-N-(6-methyl-2-pyridinyl)benzamide is sourced from PubChem (CID 1039541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).