N-[(1,5-dimethylpyrrol-2-yl)methyl]-4-(2-oxo-2-phenylacetyl)benzamide

C22H20N2O3 — CID 4786534

IUPACN-[(1,5-dimethylpyrrol-2-yl)methyl]-4-(2-oxo-2-phenylacetyl)benzamide
SMILESCc1ccc(CNC(=O)c2ccc(C(=O)C(=O)c3ccccc3)cc2)n1C
InChIInChI=1S/C22H20N2O3/c1-15-8-13-19(24(15)2)14-23-22(27)18-11-9-17(10-12-18)21(26)20(25)16-6-4-3-5-7-16/h3-13H,14H2,1-2H3,(H,23,27)
InChIKeyJKPRWNBLTBBVLP-UHFFFAOYSA-N
MW360.41 g/mol
LogP3.33
Rot. Bonds6

About N-[(1,5-dimethylpyrrol-2-yl)methyl]-4-(2-oxo-2-phenylacetyl)benzamide

N-[(1,5-dimethylpyrrol-2-yl)methyl]-4-(2-oxo-2-phenylacetyl)benzamide (PubChem CID 4786534) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrrol-2-yl)methyl]-4-(2-oxo-2-phenylacetyl)benzamide.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrrol-2-yl)methyl]-4-(2-oxo-2-phenylacetyl)benzamide
PubChem CID4786534
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC NameN-[(1,5-dimethylpyrrol-2-yl)methyl]-4-(2-oxo-2-phenylacetyl)benzamide
SMILESCc1ccc(CNC(=O)c2ccc(C(=O)C(=O)c3ccccc3)cc2)n1C
InChIInChI=1S/C22H20N2O3/c1-15-8-13-19(24(15)2)14-23-22(27)18-11-9-17(10-12-18)21(26)20(25)16-6-4-3-5-7-16/h3-13H,14H2,1-2H3,(H,23,27)
InChIKeyJKPRWNBLTBBVLP-UHFFFAOYSA-N
XLogP3.33
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N-[(1,5-dimethylpyrrol-2-yl)methyl]-4-(2-oxo-2-phenylacetyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(aminomethyl)-N-[(1,5-dimethylpyrrol-2-yl)methyl]benzamide
CID 43620649
N-[(1,5-dimethylpyrrol-2-yl)methyl]-3-iodobenzamide
CID 31217494
4-(cyclopropanecarbonylamino)-N-[(1,5-dimethylpyrrol-2-yl)methyl]benzamide
CID 31217132
N-[(1,5-dimethylpyrrol-2-yl)methyl]-1-phenyltriazole-4-carboxamide
CID 46407569
N-[(1,5-dimethylpyrrol-2-yl)methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 17423337
N-[(1,5-dimethylpyrrol-2-yl)methyl]-3-[(3-methylphenyl)methoxy]benzamide
CID 32619190
N-[(1,5-dimethylpyrrol-2-yl)methyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 31218833
2-amino-N-[(1,5-dimethylpyrrol-2-yl)methyl]-3-methylbenzamide
CID 67403099
N-[(1,5-dimethylpyrrol-2-yl)methyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 29434158
N-[(1,5-dimethylpyrrol-2-yl)methyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 43003903
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1,5-dimethylpyrrol-2-yl)methyl]benzamide
CID 17441984
(2R)-N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-phenyl-2-phenylsulfanylacetamide
CID 31217881

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrrol-2-yl)methyl]-4-(2-oxo-2-phenylacetyl)benzamide?
The IUPAC name of N-[(1,5-dimethylpyrrol-2-yl)methyl]-4-(2-oxo-2-phenylacetyl)benzamide (CID 4786534) is N-[(1,5-dimethylpyrrol-2-yl)methyl]-4-(2-oxo-2-phenylacetyl)benzamide.
What is the SMILES notation for N-[(1,5-dimethylpyrrol-2-yl)methyl]-4-(2-oxo-2-phenylacetyl)benzamide?
The canonical SMILES for N-[(1,5-dimethylpyrrol-2-yl)methyl]-4-(2-oxo-2-phenylacetyl)benzamide is Cc1ccc(CNC(=O)c2ccc(C(=O)C(=O)c3ccccc3)cc2)n1C.
What is the InChIKey of N-[(1,5-dimethylpyrrol-2-yl)methyl]-4-(2-oxo-2-phenylacetyl)benzamide?
The InChIKey is JKPRWNBLTBBVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3/c1-15-8-13-19(24(15)2)14-23-22(27)18-11-9-17(10-12-18)21(26)20(25)16-6-4-3-5-7-16/h3-13H,14H2,1-2H3,(H,23,27).
What are the key properties of N-[(1,5-dimethylpyrrol-2-yl)methyl]-4-(2-oxo-2-phenylacetyl)benzamide?
N-[(1,5-dimethylpyrrol-2-yl)methyl]-4-(2-oxo-2-phenylacetyl)benzamide has a molecular weight of 360.41 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrrol-2-yl)methyl]-4-(2-oxo-2-phenylacetyl)benzamide is sourced from PubChem (CID 4786534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).