N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethyl-3-pyrrol-1-ylbenzamide

C23H24N4O3 — CID 24983214

IUPACN-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethyl-3-pyrrol-1-ylbenzamide
SMILESCCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)c1cccc(-n2cccc2)c1
InChIInChI=1S/C23H24N4O3/c1-3-26(16-22(29)25-20-11-9-19(10-12-20)24-17(2)28)23(30)18-7-6-8-21(15-18)27-13-4-5-14-27/h4-15H,3,16H2,1-2H3,(H,24,28)(H,25,29)
InChIKeyJICDJCUYSXKSDK-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.54
Rot. Bonds7

About N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethyl-3-pyrrol-1-ylbenzamide

N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethyl-3-pyrrol-1-ylbenzamide (PubChem CID 24983214) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethyl-3-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethyl-3-pyrrol-1-ylbenzamide
PubChem CID24983214
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC NameN-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethyl-3-pyrrol-1-ylbenzamide
SMILESCCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)c1cccc(-n2cccc2)c1
InChIInChI=1S/C23H24N4O3/c1-3-26(16-22(29)25-20-11-9-19(10-12-20)24-17(2)28)23(30)18-7-6-8-21(15-18)27-13-4-5-14-27/h4-15H,3,16H2,1-2H3,(H,24,28)(H,25,29)
InChIKeyJICDJCUYSXKSDK-UHFFFAOYSA-N
XLogP3.54
TPSA83.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-(2-phenylethyl)-1H-pyrrole-2-carboxamide
CID 16110287
N-benzyl-N-methyl-1H-pyrrole-2-carboxamide
CID 11085165
4-Acetamido-N-(2-amino-5-(pyridin-4-yl)phenyl)benzamide
CID 118987449
3-[6-(But-3-En-1-Yl)-7-Oxo-6,7-Dihydro-1h-Pyrrolo[2,3-C]pyridin-4-Yl]-N,N-Dimethylbenzamide
CID 119081691
N,N-Dimethyl-3-(6-Methyl-7-Oxo-6,7-Dihydro-1h-Pyrrolo[2,3-C]pyridin-4-Yl)benzamide
CID 119081692
3-{6-[(2e)-But-2-En-1-Yl]-7-Oxo-6,7-Dihydro-1h-Pyrrolo[2,3-C]pyridin-4-Yl}-N,N-Dimethylbenzamide
CID 121335190
3-(2,5-dimethylpyrrol-1-yl)-N-phenylbenzamide
CID 947451
piperidino[4-(1H-pyrrol-1-yl)phenyl]methanone
CID 1472874
1-methyl-N-(2-phenylethyl)pyrrole-2-carboxamide
CID 2542487
5-{[3-(Dimethylamino)benzoyl]amino}-2-methyl-n-pyridin-3-ylbenzamide
CID 44571803
N-(1-Phenylcarbamoyl-2-pyridin-4-yl-vinyl)-benzamide
CID 5409139
N-methyl-N-(3-phenylpropyl)-1H-pyrrole-2-carboxamide
CID 16110289

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethyl-3-pyrrol-1-ylbenzamide?
The IUPAC name of N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethyl-3-pyrrol-1-ylbenzamide (CID 24983214) is N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethyl-3-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethyl-3-pyrrol-1-ylbenzamide?
The canonical SMILES for N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethyl-3-pyrrol-1-ylbenzamide is CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)c1cccc(-n2cccc2)c1.
What is the InChIKey of N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethyl-3-pyrrol-1-ylbenzamide?
The InChIKey is JICDJCUYSXKSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-3-26(16-22(29)25-20-11-9-19(10-12-20)24-17(2)28)23(30)18-7-6-8-21(15-18)27-13-4-5-14-27/h4-15H,3,16H2,1-2H3,(H,24,28)(H,25,29).
What are the key properties of N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethyl-3-pyrrol-1-ylbenzamide?
N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethyl-3-pyrrol-1-ylbenzamide has a molecular weight of 404.47 g/mol, XLogP of 3.54, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethyl-3-pyrrol-1-ylbenzamide is sourced from PubChem (CID 24983214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).