N-[(E)-benzylideneamino]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide

C20H19N3O — CID 42991403

IUPACN-[(E)-benzylideneamino]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)N/N=C/c2ccccc2)c(C)n1-c1ccccc1
InChIInChI=1S/C20H19N3O/c1-15-13-19(16(2)23(15)18-11-7-4-8-12-18)20(24)22-21-14-17-9-5-3-6-10-17/h3-14H,1-2H3,(H,22,24)/b21-14+
InChIKeyGHQRSNCGCWWGKX-KGENOOAVSA-N
MW317.39 g/mol
LogP3.86
Rot. Bonds4

About N-[(E)-benzylideneamino]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide

N-[(E)-benzylideneamino]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide (PubChem CID 42991403) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is N-[(E)-benzylideneamino]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-benzylideneamino]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide
PubChem CID42991403
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC NameN-[(E)-benzylideneamino]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)N/N=C/c2ccccc2)c(C)n1-c1ccccc1
InChIInChI=1S/C20H19N3O/c1-15-13-19(16(2)23(15)18-11-7-4-8-12-18)20(24)22-21-14-17-9-5-3-6-10-17/h3-14H,1-2H3,(H,22,24)/b21-14+
InChIKeyGHQRSNCGCWWGKX-KGENOOAVSA-N
XLogP3.86
TPSA46.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-(4-acetamidophenyl)methylideneamino]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide
CID 7929263
2,5-dimethyl-N-[(4-phenoxyphenyl)methylideneamino]-1-phenylpyrrole-3-carboxamide
CID 2403557
N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide
CID 7929317
N-[(Z)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide
CID 7929430
N-[(Z)-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylideneamino]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide
CID 7929253
N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide
CID 7929290
N-[(E)-[4-[2-(dimethylamino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide
CID 16553500
1-(4-fluorophenyl)-N-[(E)-[4-[2-hydroxyethyl(methyl)amino]phenyl]methylideneamino]-2,5-dimethylpyrrole-3-carboxamide
CID 22829639
N-[(2-hydroxy-4-propoxyphenyl)methylideneamino]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide
CID 2368103
2,5-dimethyl-1-phenyl-N-[(Z)-1-phenylpropylideneamino]pyrrole-3-carboxamide
CID 7929302
1-(4-fluorophenyl)-N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-2,5-dimethylpyrrole-3-carboxamide
CID 135519903
1-(4-fluorophenyl)-2,5-dimethyl-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]pyrrole-3-carboxamide
CID 135676374

Frequently Asked Questions

What is the IUPAC name of N-[(E)-benzylideneamino]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide?
The IUPAC name of N-[(E)-benzylideneamino]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide (CID 42991403) is N-[(E)-benzylideneamino]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide.
What is the SMILES notation for N-[(E)-benzylideneamino]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide?
The canonical SMILES for N-[(E)-benzylideneamino]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide is Cc1cc(C(=O)N/N=C/c2ccccc2)c(C)n1-c1ccccc1.
What is the InChIKey of N-[(E)-benzylideneamino]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide?
The InChIKey is GHQRSNCGCWWGKX-KGENOOAVSA-N. The full InChI is InChI=1S/C20H19N3O/c1-15-13-19(16(2)23(15)18-11-7-4-8-12-18)20(24)22-21-14-17-9-5-3-6-10-17/h3-14H,1-2H3,(H,22,24)/b21-14+.
What are the key properties of N-[(E)-benzylideneamino]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide?
N-[(E)-benzylideneamino]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-benzylideneamino]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide is sourced from PubChem (CID 42991403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).