N-(2,4-dimethoxyphenyl)-4-pyrrol-1-ylbenzamide

C19H18N2O3 — CID 24536376

IUPACN-(2,4-dimethoxyphenyl)-4-pyrrol-1-ylbenzamide
SMILESCOc1ccc(NC(=O)c2ccc(-n3cccc3)cc2)c(OC)c1
InChIInChI=1S/C19H18N2O3/c1-23-16-9-10-17(18(13-16)24-2)20-19(22)14-5-7-15(8-6-14)21-11-3-4-12-21/h3-13H,1-2H3,(H,20,22)
InChIKeyPPTHXYAUQZBZCM-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.75
Rot. Bonds5

About N-(2,4-dimethoxyphenyl)-4-pyrrol-1-ylbenzamide

N-(2,4-dimethoxyphenyl)-4-pyrrol-1-ylbenzamide (PubChem CID 24536376) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-4-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-4-pyrrol-1-ylbenzamide
PubChem CID24536376
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC NameN-(2,4-dimethoxyphenyl)-4-pyrrol-1-ylbenzamide
SMILESCOc1ccc(NC(=O)c2ccc(-n3cccc3)cc2)c(OC)c1
InChIInChI=1S/C19H18N2O3/c1-23-16-9-10-17(18(13-16)24-2)20-19(22)14-5-7-15(8-6-14)21-11-3-4-12-21/h3-13H,1-2H3,(H,20,22)
InChIKeyPPTHXYAUQZBZCM-UHFFFAOYSA-N
XLogP3.75
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dimethoxyphenyl)-4-phenylbenzamide
CID 602380
4-amino-N-(2,4-dimethoxyphenyl)benzamide
CID 8566750
N-(2,4-dimethoxyphenyl)-4-fluorobenzamide
CID 2832276
1-N-(2,4-dimethoxyphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide
CID 109043198
N-(2,4-dimethoxyphenyl)-4-(pyrazol-1-ylmethyl)benzamide
CID 18141970
N'-(4-methoxybenzoyl)-4-pyrrol-1-ylbenzohydrazide
CID 24536054
N-(2,4-dimethoxyphenyl)-4-(1,2,4-triazol-1-yl)benzamide
CID 18104017
1-N-cyclopropyl-4-N-(2,4-dimethoxyphenyl)benzene-1,4-dicarboxamide
CID 109043393
N-(2,4-dimethoxyphenyl)-4-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)benzamide
CID 3866755
4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(2,4-dimethoxyphenyl)benzamide
CID 55604797
methyl 3-hydroxy-4-[(4-pyrrol-1-ylbenzoyl)amino]benzoate
CID 108744794
3-acetamido-N-(2,4-dimethoxyphenyl)-4-methoxybenzamide
CID 110764309

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-4-pyrrol-1-ylbenzamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-4-pyrrol-1-ylbenzamide (CID 24536376) is N-(2,4-dimethoxyphenyl)-4-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-4-pyrrol-1-ylbenzamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-4-pyrrol-1-ylbenzamide is COc1ccc(NC(=O)c2ccc(-n3cccc3)cc2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-4-pyrrol-1-ylbenzamide?
The InChIKey is PPTHXYAUQZBZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-23-16-9-10-17(18(13-16)24-2)20-19(22)14-5-7-15(8-6-14)21-11-3-4-12-21/h3-13H,1-2H3,(H,20,22).
What are the key properties of N-(2,4-dimethoxyphenyl)-4-pyrrol-1-ylbenzamide?
N-(2,4-dimethoxyphenyl)-4-pyrrol-1-ylbenzamide has a molecular weight of 322.36 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-4-pyrrol-1-ylbenzamide is sourced from PubChem (CID 24536376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).