N-[[2-(methoxymethyl)phenyl]methyl]-4-pyrrol-1-ylbenzamide

C20H20N2O2 — CID 32603825

IUPACN-[[2-(methoxymethyl)phenyl]methyl]-4-pyrrol-1-ylbenzamide
SMILESCOCc1ccccc1CNC(=O)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C20H20N2O2/c1-24-15-18-7-3-2-6-17(18)14-21-20(23)16-8-10-19(11-9-16)22-12-4-5-13-22/h2-13H,14-15H2,1H3,(H,21,23)
InChIKeyYTGHWUGSINQNMJ-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.55
Rot. Bonds6

About N-[[2-(methoxymethyl)phenyl]methyl]-4-pyrrol-1-ylbenzamide

N-[[2-(methoxymethyl)phenyl]methyl]-4-pyrrol-1-ylbenzamide (PubChem CID 32603825) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-[[2-(methoxymethyl)phenyl]methyl]-4-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-[[2-(methoxymethyl)phenyl]methyl]-4-pyrrol-1-ylbenzamide
PubChem CID32603825
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC NameN-[[2-(methoxymethyl)phenyl]methyl]-4-pyrrol-1-ylbenzamide
SMILESCOCc1ccccc1CNC(=O)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C20H20N2O2/c1-24-15-18-7-3-2-6-17(18)14-21-20(23)16-8-10-19(11-9-16)22-12-4-5-13-22/h2-13H,14-15H2,1H3,(H,21,23)
InChIKeyYTGHWUGSINQNMJ-UHFFFAOYSA-N
XLogP3.55
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[2-(methoxymethyl)phenyl]methyl]-4-pyrrol-1-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

N-[[4-(methoxymethyl)phenyl]methyl]-4-pyrrol-1-ylbenzamide
CID 46448239
4-iodo-N-[[2-(methoxymethyl)phenyl]methyl]benzamide
CID 32602161
4-(aminomethyl)-N-[[2-(methoxymethyl)phenyl]methyl]benzamide
CID 60924658
N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-4-pyrrol-1-ylbenzamide
CID 55694833
N-[[2-(methoxymethyl)phenyl]methyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 32604555
methyl 4-[(4-pyrrol-1-ylphenyl)methylcarbamoyl]benzoate
CID 4919619
3-fluoro-N-[[2-(methoxymethyl)phenyl]methyl]-4-methylbenzamide
CID 32604559
2-methoxy-N-[[2-(methoxymethyl)phenyl]methyl]acetamide
CID 60737939
3-iodo-N-[[2-(methoxymethyl)phenyl]methyl]benzamide
CID 32602369
N-[[3-(2-methoxyethoxy)phenyl]methyl]-4-pyrrol-1-ylbenzamide
CID 55801473
N-[(3-fluoro-4-methoxyphenyl)methyl]-4-pyrrol-1-ylbenzamide
CID 110793434
N-propyl-4-pyrrol-1-ylbenzamide
CID 24536436

Frequently Asked Questions

What is the IUPAC name of N-[[2-(methoxymethyl)phenyl]methyl]-4-pyrrol-1-ylbenzamide?
The IUPAC name of N-[[2-(methoxymethyl)phenyl]methyl]-4-pyrrol-1-ylbenzamide (CID 32603825) is N-[[2-(methoxymethyl)phenyl]methyl]-4-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-[[2-(methoxymethyl)phenyl]methyl]-4-pyrrol-1-ylbenzamide?
The canonical SMILES for N-[[2-(methoxymethyl)phenyl]methyl]-4-pyrrol-1-ylbenzamide is COCc1ccccc1CNC(=O)c1ccc(-n2cccc2)cc1.
What is the InChIKey of N-[[2-(methoxymethyl)phenyl]methyl]-4-pyrrol-1-ylbenzamide?
The InChIKey is YTGHWUGSINQNMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-24-15-18-7-3-2-6-17(18)14-21-20(23)16-8-10-19(11-9-16)22-12-4-5-13-22/h2-13H,14-15H2,1H3,(H,21,23).
What are the key properties of N-[[2-(methoxymethyl)phenyl]methyl]-4-pyrrol-1-ylbenzamide?
N-[[2-(methoxymethyl)phenyl]methyl]-4-pyrrol-1-ylbenzamide has a molecular weight of 320.39 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(methoxymethyl)phenyl]methyl]-4-pyrrol-1-ylbenzamide is sourced from PubChem (CID 32603825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).