N-(1-phenylethylideneamino)-2-pyrrol-1-ylbenzamide

C19H17N3O — CID 5051594

IUPACN-(1-phenylethylideneamino)-2-pyrrol-1-ylbenzamide
SMILESCC(=NNC(=O)c1ccccc1-n1cccc1)c1ccccc1
InChIInChI=1S/C19H17N3O/c1-15(16-9-3-2-4-10-16)20-21-19(23)17-11-5-6-12-18(17)22-13-7-8-14-22/h2-14H,1H3,(H,21,23)
InChIKeyNUTJMMLEILOGHC-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.63
Rot. Bonds4

About N-(1-phenylethylideneamino)-2-pyrrol-1-ylbenzamide

N-(1-phenylethylideneamino)-2-pyrrol-1-ylbenzamide (PubChem CID 5051594) has the molecular formula C19H17N3O and a molecular weight of 303.37 g/mol. Its IUPAC name is N-(1-phenylethylideneamino)-2-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-(1-phenylethylideneamino)-2-pyrrol-1-ylbenzamide
PubChem CID5051594
Molecular FormulaC19H17N3O
Molecular Weight303.37 g/mol
Exact Mass303.14
IUPAC NameN-(1-phenylethylideneamino)-2-pyrrol-1-ylbenzamide
SMILESCC(=NNC(=O)c1ccccc1-n1cccc1)c1ccccc1
InChIInChI=1S/C19H17N3O/c1-15(16-9-3-2-4-10-16)20-21-19(23)17-11-5-6-12-18(17)22-13-7-8-14-22/h2-14H,1H3,(H,21,23)
InChIKeyNUTJMMLEILOGHC-UHFFFAOYSA-N
XLogP3.63
TPSA46.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.63
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-[1-(4-chlorophenyl)ethylideneamino]-2-pyrrol-1-ylbenzamide
CID 4578193
N-[(E)-1-(3,5-dihydroxyphenyl)ethylideneamino]-2-pyrrol-1-ylbenzamide
CID 17126850
N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]-2-pyrrol-1-ylbenzamide
CID 6293320
N-[(Z)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylideneamino]-2-pyrrol-1-ylbenzamide
CID 9012277
N-[(E)-1-(4-fluorophenyl)propylideneamino]-2-pyrrol-1-ylbenzamide
CID 16555755
[2-[(E)-C-methyl-N-[(2-pyrrol-1-ylbenzoyl)amino]carbonimidoyl]phenyl] thiophene-2-carboxylate
CID 19659210
2-methyl-N-[1-[4-[C-methyl-N-[(2-methylbenzoyl)amino]carbonimidoyl]phenyl]ethylideneamino]benzamide
CID 6792340
[4-[(E)-C-methyl-N-[(4-pyrrol-1-ylbenzoyl)amino]carbonimidoyl]phenyl] benzoate
CID 19659089
N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-4-pyrrol-1-ylbenzamide
CID 136690135
2,5-difluoro-N-[(Z)-1-phenylethylideneamino]benzamide
CID 86621112
2-methyl-N-[(E)-1-phenylethylideneamino]imidazo[1,2-a]pyridine-3-carboxamide
CID 6112087
N-(1-pyridin-4-ylethylideneamino)-4-pyrrol-1-ylbenzamide
CID 3606783

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethylideneamino)-2-pyrrol-1-ylbenzamide?
The IUPAC name of N-(1-phenylethylideneamino)-2-pyrrol-1-ylbenzamide (CID 5051594) is N-(1-phenylethylideneamino)-2-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-(1-phenylethylideneamino)-2-pyrrol-1-ylbenzamide?
The canonical SMILES for N-(1-phenylethylideneamino)-2-pyrrol-1-ylbenzamide is CC(=NNC(=O)c1ccccc1-n1cccc1)c1ccccc1.
What is the InChIKey of N-(1-phenylethylideneamino)-2-pyrrol-1-ylbenzamide?
The InChIKey is NUTJMMLEILOGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O/c1-15(16-9-3-2-4-10-16)20-21-19(23)17-11-5-6-12-18(17)22-13-7-8-14-22/h2-14H,1H3,(H,21,23).
What are the key properties of N-(1-phenylethylideneamino)-2-pyrrol-1-ylbenzamide?
N-(1-phenylethylideneamino)-2-pyrrol-1-ylbenzamide has a molecular weight of 303.37 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethylideneamino)-2-pyrrol-1-ylbenzamide is sourced from PubChem (CID 5051594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).