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

C20H20N2O2 — CID 46448239

IUPACN-[[4-(methoxymethyl)phenyl]methyl]-4-pyrrol-1-ylbenzamide
SMILESCOCc1ccc(CNC(=O)c2ccc(-n3cccc3)cc2)cc1
InChIInChI=1S/C20H20N2O2/c1-24-15-17-6-4-16(5-7-17)14-21-20(23)18-8-10-19(11-9-18)22-12-2-3-13-22/h2-13H,14-15H2,1H3,(H,21,23)
InChIKeyCIMRKZFGQLLSRC-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.55
Rot. Bonds6

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

N-[[4-(methoxymethyl)phenyl]methyl]-4-pyrrol-1-ylbenzamide (PubChem CID 46448239) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)phenyl]methyl]-4-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)phenyl]methyl]-4-pyrrol-1-ylbenzamide
PubChem CID46448239
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC NameN-[[4-(methoxymethyl)phenyl]methyl]-4-pyrrol-1-ylbenzamide
SMILESCOCc1ccc(CNC(=O)c2ccc(-n3cccc3)cc2)cc1
InChIInChI=1S/C20H20N2O2/c1-24-15-17-6-4-16(5-7-17)14-21-20(23)18-8-10-19(11-9-18)22-12-2-3-13-22/h2-13H,14-15H2,1H3,(H,21,23)
InChIKeyCIMRKZFGQLLSRC-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

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Related Compounds

methyl 4-[(4-pyrrol-1-ylphenyl)methylcarbamoyl]benzoate
CID 4919619
N-[[2-(methoxymethyl)phenyl]methyl]-4-pyrrol-1-ylbenzamide
CID 32603825
4-pyrrol-1-yl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]benzamide
CID 55493467
4-(methoxymethyl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 35613985
N-ethyl-4-[[[4-(methoxymethyl)benzoyl]amino]methyl]benzamide
CID 86990014
N-[(4-cyanophenyl)methyl]-4-pyrrol-1-ylbenzamide
CID 134035332
N-[[3-(2-methoxyethoxy)phenyl]methyl]-4-pyrrol-1-ylbenzamide
CID 55801473
N-[(3-fluoro-4-methoxyphenyl)methyl]-4-pyrrol-1-ylbenzamide
CID 110793434
4-pyrrol-1-yl-N-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide
CID 108933756
diethyl-[[4-[[[4-(methoxymethyl)benzoyl]amino]methyl]phenyl]methyl]azanium
CID 8947985
N-[(3-chlorophenyl)methyl]-4-(methoxymethyl)benzamide
CID 51176578
3-fluoro-N-[(4-pyrrol-1-ylphenyl)methyl]benzamide
CID 4919610

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)phenyl]methyl]-4-pyrrol-1-ylbenzamide?
The IUPAC name of N-[[4-(methoxymethyl)phenyl]methyl]-4-pyrrol-1-ylbenzamide (CID 46448239) is N-[[4-(methoxymethyl)phenyl]methyl]-4-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-[[4-(methoxymethyl)phenyl]methyl]-4-pyrrol-1-ylbenzamide?
The canonical SMILES for N-[[4-(methoxymethyl)phenyl]methyl]-4-pyrrol-1-ylbenzamide is COCc1ccc(CNC(=O)c2ccc(-n3cccc3)cc2)cc1.
What is the InChIKey of N-[[4-(methoxymethyl)phenyl]methyl]-4-pyrrol-1-ylbenzamide?
The InChIKey is CIMRKZFGQLLSRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-24-15-17-6-4-16(5-7-17)14-21-20(23)18-8-10-19(11-9-18)22-12-2-3-13-22/h2-13H,14-15H2,1H3,(H,21,23).
What are the key properties of N-[[4-(methoxymethyl)phenyl]methyl]-4-pyrrol-1-ylbenzamide?
N-[[4-(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-[[4-(methoxymethyl)phenyl]methyl]-4-pyrrol-1-ylbenzamide is sourced from PubChem (CID 46448239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).