4-[(4-bromophenyl)methoxy]-3-methoxy-N-methyl-N-(pyridin-3-ylmethyl)benzamide

C22H21BrN2O3 — CID 78886268

IUPAC4-[(4-bromophenyl)methoxy]-3-methoxy-N-methyl-N-(pyridin-3-ylmethyl)benzamide
SMILESCOc1cc(C(=O)N(C)Cc2cccnc2)ccc1OCc1ccc(Br)cc1
InChIInChI=1S/C22H21BrN2O3/c1-25(14-17-4-3-11-24-13-17)22(26)18-7-10-20(21(12-18)27-2)28-15-16-5-8-19(23)9-6-16/h3-13H,14-15H2,1-2H3
InChIKeyASXFXAQKDBQWHD-UHFFFAOYSA-N
MW441.33 g/mol
LogP4.70
Rot. Bonds7

About 4-[(4-bromophenyl)methoxy]-3-methoxy-N-methyl-N-(pyridin-3-ylmethyl)benzamide

4-[(4-bromophenyl)methoxy]-3-methoxy-N-methyl-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 78886268) has the molecular formula C22H21BrN2O3 and a molecular weight of 441.33 g/mol. Its IUPAC name is 4-[(4-bromophenyl)methoxy]-3-methoxy-N-methyl-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[(4-bromophenyl)methoxy]-3-methoxy-N-methyl-N-(pyridin-3-ylmethyl)benzamide
PubChem CID78886268
Molecular FormulaC22H21BrN2O3
Molecular Weight441.33 g/mol
Exact Mass440.07
IUPAC Name4-[(4-bromophenyl)methoxy]-3-methoxy-N-methyl-N-(pyridin-3-ylmethyl)benzamide
SMILESCOc1cc(C(=O)N(C)Cc2cccnc2)ccc1OCc1ccc(Br)cc1
InChIInChI=1S/C22H21BrN2O3/c1-25(14-17-4-3-11-24-13-17)22(26)18-7-10-20(21(12-18)27-2)28-15-16-5-8-19(23)9-6-16/h3-13H,14-15H2,1-2H3
InChIKeyASXFXAQKDBQWHD-UHFFFAOYSA-N
XLogP4.70
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.33
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[(4-bromophenyl)methoxy]-3-methoxy-N-methyl-N-(pyridin-3-ylmethyl)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-methoxy-N-methyl-4-propan-2-yloxy-N-(pyridin-3-ylmethyl)benzamide
CID 86932709
4-(methoxymethyl)-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 86977207
5-[(2-methoxyphenoxy)methyl]-N-methyl-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 87002082
6-bromo-N-methyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 66463472
3,5-dimethoxy-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 6734292
3-[[4-(bromomethyl)-2-methoxyphenoxy]methyl]pyridine
CID 43324725
4-[(4-bromophenyl)methoxy]-3-methoxybenzoate
CID 8706948
4-[(4-chlorophenyl)methoxy]-3-methoxy-N-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 55958016
4-(4-acetyl-2-methoxyphenoxy)-N-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 86993083
N-[(4-bromophenyl)methyl]-4-fluoro-3-methoxy-N-methylbenzamide
CID 80960501
3,5-dihydroxy-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 103891587
N-[(2,4-dimethylphenyl)methyl]-3-ethoxy-N-methyl-4-(pyridin-3-ylmethoxy)benzamide
CID 46598269

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromophenyl)methoxy]-3-methoxy-N-methyl-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 4-[(4-bromophenyl)methoxy]-3-methoxy-N-methyl-N-(pyridin-3-ylmethyl)benzamide (CID 78886268) is 4-[(4-bromophenyl)methoxy]-3-methoxy-N-methyl-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 4-[(4-bromophenyl)methoxy]-3-methoxy-N-methyl-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 4-[(4-bromophenyl)methoxy]-3-methoxy-N-methyl-N-(pyridin-3-ylmethyl)benzamide is COc1cc(C(=O)N(C)Cc2cccnc2)ccc1OCc1ccc(Br)cc1.
What is the InChIKey of 4-[(4-bromophenyl)methoxy]-3-methoxy-N-methyl-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is ASXFXAQKDBQWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21BrN2O3/c1-25(14-17-4-3-11-24-13-17)22(26)18-7-10-20(21(12-18)27-2)28-15-16-5-8-19(23)9-6-16/h3-13H,14-15H2,1-2H3.
What are the key properties of 4-[(4-bromophenyl)methoxy]-3-methoxy-N-methyl-N-(pyridin-3-ylmethyl)benzamide?
4-[(4-bromophenyl)methoxy]-3-methoxy-N-methyl-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 441.33 g/mol, XLogP of 4.70, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromophenyl)methoxy]-3-methoxy-N-methyl-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 78886268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).