N-acetyl-N-(2-benzoyl-4-cyano-5-methyl-1-phenylpyrrol-3-yl)acetamide

C23H19N3O3 — CID 657783

IUPACN-acetyl-N-(2-benzoyl-4-cyano-5-methyl-1-phenylpyrrol-3-yl)acetamide
SMILESCC(=O)N(C(C)=O)c1c(C#N)c(C)n(-c2ccccc2)c1C(=O)c1ccccc1
InChIInChI=1S/C23H19N3O3/c1-15-20(14-24)21(26(16(2)27)17(3)28)22(23(29)18-10-6-4-7-11-18)25(15)19-12-8-5-9-13-19/h4-13H,1-3H3
InChIKeyQNHFSFNKDDWYKO-UHFFFAOYSA-N
MW385.42 g/mol
LogP3.79
Rot. Bonds4

About N-acetyl-N-(2-benzoyl-4-cyano-5-methyl-1-phenylpyrrol-3-yl)acetamide

N-acetyl-N-(2-benzoyl-4-cyano-5-methyl-1-phenylpyrrol-3-yl)acetamide (PubChem CID 657783) has the molecular formula C23H19N3O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is N-acetyl-N-(2-benzoyl-4-cyano-5-methyl-1-phenylpyrrol-3-yl)acetamide.

Molecular Properties

Compound NameN-acetyl-N-(2-benzoyl-4-cyano-5-methyl-1-phenylpyrrol-3-yl)acetamide
PubChem CID657783
Molecular FormulaC23H19N3O3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC NameN-acetyl-N-(2-benzoyl-4-cyano-5-methyl-1-phenylpyrrol-3-yl)acetamide
SMILESCC(=O)N(C(C)=O)c1c(C#N)c(C)n(-c2ccccc2)c1C(=O)c1ccccc1
InChIInChI=1S/C23H19N3O3/c1-15-20(14-24)21(26(16(2)27)17(3)28)22(23(29)18-10-6-4-7-11-18)25(15)19-12-8-5-9-13-19/h4-13H,1-3H3
InChIKeyQNHFSFNKDDWYKO-UHFFFAOYSA-N
XLogP3.79
TPSA83.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-(dimethylamino)propyl)-6-methyl-4-oxo-5-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidine-7-carbonitrile
CID 660048
3-(cyanomethyl)-6-methyl-4-oxo-5-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidine-7-carbonitrile
CID 948293
N'-[2-(4-bromobenzoyl)-4-cyano-5-methyl-1-phenyl-1H-pyrrol-3-yl]-N,N-dimethylimidoformamide
CID 2836475
2-Amino-3-benzoyl-5,6,7,8-tetrahydroindolizine-1-carbonitrile
CID 759944
6-[(E)-2-(4-acetylphenyl)ethenyl]-1,3,5-trimethylpyrrolo[3,2-d]pyrimidine-2,4-dione
CID 71563176
1-cyano-N-phenyl-2-(propylideneamino)-5,6,7,8-tetrahydroindolizine-3-carboxamide
CID 155553481
2-Methyl-4-oxo-3-phenyl-6,7,8,9-tetrahydropyrimido[4,5-b]indolizine-10-carbonitrile
CID 164622485
N'-[4-cyano-5-methyl-1-phenyl-2-(phenylcarbonyl)-1H-pyrrol-3-yl]-N,N-dimethylimidoformamide
CID 2836474
6-amino-5-benzoyl-2,3-dihydro-1H-pyrrolizine-7-carbonitrile
CID 741280
4-Amino-5-benzoyl-2-methyl-1-phenylpyrrole-3-carboxamide
CID 754868
Cambridge id 5219749
CID 788158
3-benzyl-6-methyl-4-oxo-5-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidine-7-carbonitrile
CID 878499

Frequently Asked Questions

What is the IUPAC name of N-acetyl-N-(2-benzoyl-4-cyano-5-methyl-1-phenylpyrrol-3-yl)acetamide?
The IUPAC name of N-acetyl-N-(2-benzoyl-4-cyano-5-methyl-1-phenylpyrrol-3-yl)acetamide (CID 657783) is N-acetyl-N-(2-benzoyl-4-cyano-5-methyl-1-phenylpyrrol-3-yl)acetamide.
What is the SMILES notation for N-acetyl-N-(2-benzoyl-4-cyano-5-methyl-1-phenylpyrrol-3-yl)acetamide?
The canonical SMILES for N-acetyl-N-(2-benzoyl-4-cyano-5-methyl-1-phenylpyrrol-3-yl)acetamide is CC(=O)N(C(C)=O)c1c(C#N)c(C)n(-c2ccccc2)c1C(=O)c1ccccc1.
What is the InChIKey of N-acetyl-N-(2-benzoyl-4-cyano-5-methyl-1-phenylpyrrol-3-yl)acetamide?
The InChIKey is QNHFSFNKDDWYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3/c1-15-20(14-24)21(26(16(2)27)17(3)28)22(23(29)18-10-6-4-7-11-18)25(15)19-12-8-5-9-13-19/h4-13H,1-3H3.
What are the key properties of N-acetyl-N-(2-benzoyl-4-cyano-5-methyl-1-phenylpyrrol-3-yl)acetamide?
N-acetyl-N-(2-benzoyl-4-cyano-5-methyl-1-phenylpyrrol-3-yl)acetamide has a molecular weight of 385.42 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-(2-benzoyl-4-cyano-5-methyl-1-phenylpyrrol-3-yl)acetamide is sourced from PubChem (CID 657783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).