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

C20H19N3O2 — CID 16590163

IUPACN-(4-acetamidophenyl)-4-methyl-3-pyrrol-1-ylbenzamide
SMILESCC(=O)Nc1ccc(NC(=O)c2ccc(C)c(-n3cccc3)c2)cc1
InChIInChI=1S/C20H19N3O2/c1-14-5-6-16(13-19(14)23-11-3-4-12-23)20(25)22-18-9-7-17(8-10-18)21-15(2)24/h3-13H,1-2H3,(H,21,24)(H,22,25)
InChIKeyONAFYHNPPUPMHK-UHFFFAOYSA-N
MW333.39 g/mol
LogP4.00
Rot. Bonds4

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

N-(4-acetamidophenyl)-4-methyl-3-pyrrol-1-ylbenzamide (PubChem CID 16590163) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-4-methyl-3-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-4-methyl-3-pyrrol-1-ylbenzamide
PubChem CID16590163
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC NameN-(4-acetamidophenyl)-4-methyl-3-pyrrol-1-ylbenzamide
SMILESCC(=O)Nc1ccc(NC(=O)c2ccc(C)c(-n3cccc3)c2)cc1
InChIInChI=1S/C20H19N3O2/c1-14-5-6-16(13-19(14)23-11-3-4-12-23)20(25)22-18-9-7-17(8-10-18)21-15(2)24/h3-13H,1-2H3,(H,21,24)(H,22,25)
InChIKeyONAFYHNPPUPMHK-UHFFFAOYSA-N
XLogP4.00
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methoxyphenyl)-4-methyl-3-pyrrol-1-ylbenzamide
CID 16590326
N-(2-hydroxyphenyl)-4-methyl-3-pyrrol-1-ylbenzamide
CID 18138394
4-methyl-3-pyrrol-1-yl-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 29370773
N-(4-acetamidophenyl)-3-iodo-4-methylbenzamide
CID 1014195
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-4-methyl-3-pyrrol-1-ylbenzamide
CID 16599804
4-methyl-3-pyrrol-1-ylbenzamide
CID 91674702
4-methyl-N-prop-2-ynyl-3-pyrrol-1-ylbenzamide
CID 18156699
N-(4-acetamidophenyl)-3-(1,1-dioxothiazinan-2-yl)-4-methylbenzamide
CID 7517052
ethyl N-[(4-methyl-3-pyrrol-1-ylbenzoyl)amino]carbamate
CID 43042123
N-[2-(ethylamino)-2-oxoethyl]-4-methyl-3-pyrrol-1-ylbenzamide
CID 18145864
N-(4-acetamidophenyl)-3-methylbenzamide
CID 730082
1-[4-[(3,4-dimethylbenzoyl)amino]anilino]ethylidene-dimethylazanium
CID 21440580

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-4-methyl-3-pyrrol-1-ylbenzamide?
The IUPAC name of N-(4-acetamidophenyl)-4-methyl-3-pyrrol-1-ylbenzamide (CID 16590163) is N-(4-acetamidophenyl)-4-methyl-3-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-(4-acetamidophenyl)-4-methyl-3-pyrrol-1-ylbenzamide?
The canonical SMILES for N-(4-acetamidophenyl)-4-methyl-3-pyrrol-1-ylbenzamide is CC(=O)Nc1ccc(NC(=O)c2ccc(C)c(-n3cccc3)c2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-4-methyl-3-pyrrol-1-ylbenzamide?
The InChIKey is ONAFYHNPPUPMHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-14-5-6-16(13-19(14)23-11-3-4-12-23)20(25)22-18-9-7-17(8-10-18)21-15(2)24/h3-13H,1-2H3,(H,21,24)(H,22,25).
What are the key properties of N-(4-acetamidophenyl)-4-methyl-3-pyrrol-1-ylbenzamide?
N-(4-acetamidophenyl)-4-methyl-3-pyrrol-1-ylbenzamide has a molecular weight of 333.39 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-4-methyl-3-pyrrol-1-ylbenzamide is sourced from PubChem (CID 16590163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).