N-(3-methoxyphenyl)-4-methyl-3-pyrrol-1-ylbenzamide

C19H18N2O2 — CID 16590326

IUPACN-(3-methoxyphenyl)-4-methyl-3-pyrrol-1-ylbenzamide
SMILESCOc1cccc(NC(=O)c2ccc(C)c(-n3cccc3)c2)c1
InChIInChI=1S/C19H18N2O2/c1-14-8-9-15(12-18(14)21-10-3-4-11-21)19(22)20-16-6-5-7-17(13-16)23-2/h3-13H,1-2H3,(H,20,22)
InChIKeyASKCMFLQSUPNIR-UHFFFAOYSA-N
MW306.37 g/mol
LogP4.05
Rot. Bonds4

About N-(3-methoxyphenyl)-4-methyl-3-pyrrol-1-ylbenzamide

N-(3-methoxyphenyl)-4-methyl-3-pyrrol-1-ylbenzamide (PubChem CID 16590326) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-4-methyl-3-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-4-methyl-3-pyrrol-1-ylbenzamide
PubChem CID16590326
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC NameN-(3-methoxyphenyl)-4-methyl-3-pyrrol-1-ylbenzamide
SMILESCOc1cccc(NC(=O)c2ccc(C)c(-n3cccc3)c2)c1
InChIInChI=1S/C19H18N2O2/c1-14-8-9-15(12-18(14)21-10-3-4-11-21)19(22)20-16-6-5-7-17(13-16)23-2/h3-13H,1-2H3,(H,20,22)
InChIKeyASKCMFLQSUPNIR-UHFFFAOYSA-N
XLogP4.05
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(3-methoxyphenyl)-3-methylbenzamide
CID 112705642
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-4-methyl-3-pyrrol-1-ylbenzamide
CID 16599804
4-acetyl-N-(3-methoxyphenyl)benzamide
CID 16640996
3-N-(3-methoxyphenyl)-1-N-(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057620
1-N-(3-acetylphenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057624
N-(3-methoxyphenyl)-4-methyl-3-(phenylsulfamoyl)benzamide
CID 1289257
N-(2-hydroxyphenyl)-4-methyl-3-pyrrol-1-ylbenzamide
CID 18138394
3-(carbamoylamino)-N-(3-methoxyphenyl)benzamide
CID 29199856
3-methoxy-4-methyl-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 38033064
3,5-dimethoxy-N-(3-pyrrol-1-ylphenyl)benzamide
CID 110726291
3-amino-4-methoxy-N-(3-methoxyphenyl)benzamide
CID 16785828
N-[2-(3-methoxyanilino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 27167538

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-4-methyl-3-pyrrol-1-ylbenzamide?
The IUPAC name of N-(3-methoxyphenyl)-4-methyl-3-pyrrol-1-ylbenzamide (CID 16590326) is N-(3-methoxyphenyl)-4-methyl-3-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-(3-methoxyphenyl)-4-methyl-3-pyrrol-1-ylbenzamide?
The canonical SMILES for N-(3-methoxyphenyl)-4-methyl-3-pyrrol-1-ylbenzamide is COc1cccc(NC(=O)c2ccc(C)c(-n3cccc3)c2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-4-methyl-3-pyrrol-1-ylbenzamide?
The InChIKey is ASKCMFLQSUPNIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-14-8-9-15(12-18(14)21-10-3-4-11-21)19(22)20-16-6-5-7-17(13-16)23-2/h3-13H,1-2H3,(H,20,22).
What are the key properties of N-(3-methoxyphenyl)-4-methyl-3-pyrrol-1-ylbenzamide?
N-(3-methoxyphenyl)-4-methyl-3-pyrrol-1-ylbenzamide has a molecular weight of 306.37 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-4-methyl-3-pyrrol-1-ylbenzamide is sourced from PubChem (CID 16590326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).