N-[(E)-[1-(4-chlorophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]acetamide

C25H20ClN3O — CID 96843404

IUPACN-[(E)-[1-(4-chlorophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]acetamide
SMILESCC(=O)N/N=C/c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1
InChIInChI=1S/C25H20ClN3O/c1-18(30)28-27-17-21-16-24(19-8-4-2-5-9-19)29(23-14-12-22(26)13-15-23)25(21)20-10-6-3-7-11-20/h2-17H,1H3,(H,28,30)/b27-17+
InChIKeyGSDHIWMBSSSJLR-WPWMEQJKSA-N
MW413.91 g/mol
LogP5.93
Rot. Bonds5

About N-[(E)-[1-(4-chlorophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]acetamide

N-[(E)-[1-(4-chlorophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]acetamide (PubChem CID 96843404) has the molecular formula C25H20ClN3O and a molecular weight of 413.91 g/mol. Its IUPAC name is N-[(E)-[1-(4-chlorophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]acetamide.

Molecular Properties

Compound NameN-[(E)-[1-(4-chlorophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]acetamide
PubChem CID96843404
Molecular FormulaC25H20ClN3O
Molecular Weight413.91 g/mol
Exact Mass413.13
IUPAC NameN-[(E)-[1-(4-chlorophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]acetamide
SMILESCC(=O)N/N=C/c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1
InChIInChI=1S/C25H20ClN3O/c1-18(30)28-27-17-21-16-24(19-8-4-2-5-9-19)29(23-14-12-22(26)13-15-23)25(21)20-10-6-3-7-11-20/h2-17H,1H3,(H,28,30)/b27-17+
InChIKeyGSDHIWMBSSSJLR-WPWMEQJKSA-N
XLogP5.93
TPSA46.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.91
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-[1-(4-chlorophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]pyridine-2-carboxamide
CID 94845723
N-[(Z)-[1-(4-chlorophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]-4-(2-methyl-5-phenylpyrrol-1-yl)benzamide
CID 124534113
N-[(E)-[1-(4-chlorophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]aniline
CID 96877901
1-[4-[[1-(4-chlorophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]phenyl]ethanone
CID 94845697
3-hydroxy-4-iodo-N-[[1-(4-methylphenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]benzamide
CID 4195893
N-[(Z)-[1-(4-methylphenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126037298
3,5-dibromo-N-[[1-(4-bromophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]-2-hydroxybenzamide
CID 3973684
N-[(E)-(4-chlorophenyl)methylideneamino]-4-(2,5-diphenylpyrrol-1-yl)benzamide
CID 6882945
N-[(Z)-[1-(4-nitrophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]naphthalene-2-carboxamide
CID 98114973
5-bromo-N-[(E)-[1-(4-bromophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]-7-iodo-1-benzofuran-2-carboxamide
CID 126023406
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide
CID 6162520
(5E)-5-[[1-(4-chlorophenyl)-2,5-diphenylpyrrol-3-yl]methylidene]-3-methyl-1,3-thiazolidine-2,4-dione
CID 96882231

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[1-(4-chlorophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]acetamide?
The IUPAC name of N-[(E)-[1-(4-chlorophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]acetamide (CID 96843404) is N-[(E)-[1-(4-chlorophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]acetamide.
What is the SMILES notation for N-[(E)-[1-(4-chlorophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]acetamide?
The canonical SMILES for N-[(E)-[1-(4-chlorophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]acetamide is CC(=O)N/N=C/c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1.
What is the InChIKey of N-[(E)-[1-(4-chlorophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]acetamide?
The InChIKey is GSDHIWMBSSSJLR-WPWMEQJKSA-N. The full InChI is InChI=1S/C25H20ClN3O/c1-18(30)28-27-17-21-16-24(19-8-4-2-5-9-19)29(23-14-12-22(26)13-15-23)25(21)20-10-6-3-7-11-20/h2-17H,1H3,(H,28,30)/b27-17+.
What are the key properties of N-[(E)-[1-(4-chlorophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]acetamide?
N-[(E)-[1-(4-chlorophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]acetamide has a molecular weight of 413.91 g/mol, XLogP of 5.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[1-(4-chlorophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]acetamide is sourced from PubChem (CID 96843404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).