3,5-dimethoxy-N-[(4-pyrrol-1-ylphenyl)methyl]benzamide

C20H20N2O3 — CID 4919620

IUPAC3,5-dimethoxy-N-[(4-pyrrol-1-ylphenyl)methyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)NCc2ccc(-n3cccc3)cc2)c1
InChIInChI=1S/C20H20N2O3/c1-24-18-11-16(12-19(13-18)25-2)20(23)21-14-15-5-7-17(8-6-15)22-9-3-4-10-22/h3-13H,14H2,1-2H3,(H,21,23)
InChIKeyBCRSAKIZUXEGKI-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.42
Rot. Bonds6

About 3,5-dimethoxy-N-[(4-pyrrol-1-ylphenyl)methyl]benzamide

3,5-dimethoxy-N-[(4-pyrrol-1-ylphenyl)methyl]benzamide (PubChem CID 4919620) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[(4-pyrrol-1-ylphenyl)methyl]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[(4-pyrrol-1-ylphenyl)methyl]benzamide
PubChem CID4919620
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name3,5-dimethoxy-N-[(4-pyrrol-1-ylphenyl)methyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)NCc2ccc(-n3cccc3)cc2)c1
InChIInChI=1S/C20H20N2O3/c1-24-18-11-16(12-19(13-18)25-2)20(23)21-14-15-5-7-17(8-6-15)22-9-3-4-10-22/h3-13H,14H2,1-2H3,(H,21,23)
InChIKeyBCRSAKIZUXEGKI-UHFFFAOYSA-N
XLogP3.42
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-N-(pyridin-3-yl)benzamide
CID 777049
N-[(1,2-dimethyl-1H-indol-5-yl)methyl]-3-methoxybenzamide
CID 5064384
3,5-dimethoxy-N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]benzamide
CID 2108129
N-[2-[(3-methoxybenzoyl)amino]ethyl]pyridine-2-carboxamide
CID 2984987
N-[3-(3-Methoxy-benzoylamino)-propyl]-nicotinamide
CID 2989253
3,5-dimethoxy-N-[3-methyl-1-oxo-1-(2-pyridin-2-ylethylamino)butan-2-yl]benzamide
CID 4787954
3,5-dimethoxy-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide
CID 5143738
N-(3,5-dimethoxyphenyl)-3-phenyl-2-(1H-pyrrol-1-yl)propanamide
CID 6619890
N-(3-methoxybenzyl)-3-phenyl-2-(1H-pyrrol-1-yl)propanamide
CID 6623034
N-(2,4-dimethoxyphenyl)-3-phenyl-2-(1H-pyrrol-1-yl)propanamide
CID 16010644
N-(6-methoxypyridin-3-yl)-3-phenoxybenzamide
CID 16295584
3,4,5-trimethoxy-N-[4-(pyridine-4-carbonyl)phenyl]benzamide
CID 3767848

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[(4-pyrrol-1-ylphenyl)methyl]benzamide?
The IUPAC name of 3,5-dimethoxy-N-[(4-pyrrol-1-ylphenyl)methyl]benzamide (CID 4919620) is 3,5-dimethoxy-N-[(4-pyrrol-1-ylphenyl)methyl]benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[(4-pyrrol-1-ylphenyl)methyl]benzamide?
The canonical SMILES for 3,5-dimethoxy-N-[(4-pyrrol-1-ylphenyl)methyl]benzamide is COc1cc(OC)cc(C(=O)NCc2ccc(-n3cccc3)cc2)c1.
What is the InChIKey of 3,5-dimethoxy-N-[(4-pyrrol-1-ylphenyl)methyl]benzamide?
The InChIKey is BCRSAKIZUXEGKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-24-18-11-16(12-19(13-18)25-2)20(23)21-14-15-5-7-17(8-6-15)22-9-3-4-10-22/h3-13H,14H2,1-2H3,(H,21,23).
What are the key properties of 3,5-dimethoxy-N-[(4-pyrrol-1-ylphenyl)methyl]benzamide?
3,5-dimethoxy-N-[(4-pyrrol-1-ylphenyl)methyl]benzamide has a molecular weight of 336.39 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[(4-pyrrol-1-ylphenyl)methyl]benzamide is sourced from PubChem (CID 4919620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).