2-naphthalen-1-yl-N-[(E)-(1-naphthalen-2-ylpyrrol-2-yl)methylideneamino]acetamide

C27H21N3O — CID 21374423

IUPAC2-naphthalen-1-yl-N-[(E)-(1-naphthalen-2-ylpyrrol-2-yl)methylideneamino]acetamide
SMILESO=C(Cc1cccc2ccccc12)N/N=C/c1cccn1-c1ccc2ccccc2c1
InChIInChI=1S/C27H21N3O/c31-27(18-23-11-5-10-21-8-3-4-13-26(21)23)29-28-19-25-12-6-16-30(25)24-15-14-20-7-1-2-9-22(20)17-24/h1-17,19H,18H2,(H,29,31)/b28-19+
InChIKeyAKWLDHHDEZHVMX-TURZUDJPSA-N
MW403.49 g/mol
LogP5.48
Rot. Bonds5

About 2-naphthalen-1-yl-N-[(E)-(1-naphthalen-2-ylpyrrol-2-yl)methylideneamino]acetamide

2-naphthalen-1-yl-N-[(E)-(1-naphthalen-2-ylpyrrol-2-yl)methylideneamino]acetamide (PubChem CID 21374423) has the molecular formula C27H21N3O and a molecular weight of 403.49 g/mol. Its IUPAC name is 2-naphthalen-1-yl-N-[(E)-(1-naphthalen-2-ylpyrrol-2-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-naphthalen-1-yl-N-[(E)-(1-naphthalen-2-ylpyrrol-2-yl)methylideneamino]acetamide
PubChem CID21374423
Molecular FormulaC27H21N3O
Molecular Weight403.49 g/mol
Exact Mass403.17
IUPAC Name2-naphthalen-1-yl-N-[(E)-(1-naphthalen-2-ylpyrrol-2-yl)methylideneamino]acetamide
SMILESO=C(Cc1cccc2ccccc12)N/N=C/c1cccn1-c1ccc2ccccc2c1
InChIInChI=1S/C27H21N3O/c31-27(18-23-11-5-10-21-8-3-4-13-26(21)23)29-28-19-25-12-6-16-30(25)24-15-14-20-7-1-2-9-22(20)17-24/h1-17,19H,18H2,(H,29,31)/b28-19+
InChIKeyAKWLDHHDEZHVMX-TURZUDJPSA-N
XLogP5.48
TPSA46.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.49
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_pyrrol(64)', '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

2-(3-bromophenoxy)-N-[(Z)-(1-naphthalen-2-ylpyrrol-2-yl)methylideneamino]acetamide
CID 21374448
2-naphthalen-1-yloxy-N-[(1-phenylpyrrol-2-yl)methylideneamino]acetamide
CID 3763934
N-[[1-(3-methylphenyl)pyrrol-2-yl]methylideneamino]-2-(2-nitrophenyl)acetamide
CID 5178741
N-[[1-(4-bromophenyl)pyrrol-2-yl]methylideneamino]-2-phenylacetamide
CID 4556577
2-(2-nitrophenyl)-N-[[1-(4-nitrophenyl)pyrrol-2-yl]methylideneamino]acetamide
CID 4244555
[4-[[(2-naphthalen-1-ylacetyl)hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate
CID 4090058
N-[(E)-(3-bromophenyl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 5340905
N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 6163037
5-bromo-7-iodo-N-[(E)-(1-naphthalen-2-ylpyrrol-2-yl)methylideneamino]-1-benzofuran-2-carboxamide
CID 21374400
N-[(Z)-(5-ethoxy-2-hydroxyphenyl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 136664015
N-[(2-hydroxy-5-methylphenyl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 689528
3-hydroxy-N-[[1-(3-methylphenyl)pyrrol-2-yl]methylideneamino]naphthalene-2-carboxamide
CID 3642162

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-N-[(E)-(1-naphthalen-2-ylpyrrol-2-yl)methylideneamino]acetamide?
The IUPAC name of 2-naphthalen-1-yl-N-[(E)-(1-naphthalen-2-ylpyrrol-2-yl)methylideneamino]acetamide (CID 21374423) is 2-naphthalen-1-yl-N-[(E)-(1-naphthalen-2-ylpyrrol-2-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-naphthalen-1-yl-N-[(E)-(1-naphthalen-2-ylpyrrol-2-yl)methylideneamino]acetamide?
The canonical SMILES for 2-naphthalen-1-yl-N-[(E)-(1-naphthalen-2-ylpyrrol-2-yl)methylideneamino]acetamide is O=C(Cc1cccc2ccccc12)N/N=C/c1cccn1-c1ccc2ccccc2c1.
What is the InChIKey of 2-naphthalen-1-yl-N-[(E)-(1-naphthalen-2-ylpyrrol-2-yl)methylideneamino]acetamide?
The InChIKey is AKWLDHHDEZHVMX-TURZUDJPSA-N. The full InChI is InChI=1S/C27H21N3O/c31-27(18-23-11-5-10-21-8-3-4-13-26(21)23)29-28-19-25-12-6-16-30(25)24-15-14-20-7-1-2-9-22(20)17-24/h1-17,19H,18H2,(H,29,31)/b28-19+.
What are the key properties of 2-naphthalen-1-yl-N-[(E)-(1-naphthalen-2-ylpyrrol-2-yl)methylideneamino]acetamide?
2-naphthalen-1-yl-N-[(E)-(1-naphthalen-2-ylpyrrol-2-yl)methylideneamino]acetamide has a molecular weight of 403.49 g/mol, XLogP of 5.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-N-[(E)-(1-naphthalen-2-ylpyrrol-2-yl)methylideneamino]acetamide is sourced from PubChem (CID 21374423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).