bis(N-cyclopenta-1,3-dien-1-yl-2-phenylacetamide);iron(2+)

C26H24FeN2O2 — CID 131724440

IUPACbis(N-cyclopenta-1,3-dien-1-yl-2-phenylacetamide);iron(2+)
SMILESO=C(Cc1ccccc1)Nc1ccc[cH-]1.O=C(Cc1ccccc1)Nc1ccc[cH-]1.[Fe+2]
InChIInChI=1S/2C13H12NO.Fe/c2*15-13(14-12-8-4-5-9-12)10-11-6-2-1-3-7-11;/h2*1-9H,10H2,(H,14,15);/q2*-1;+2
InChIKeyIGAJWVHPRWKITH-UHFFFAOYSA-N
MW452.34 g/mol
LogP5.17
Rot. Bonds6

About bis(N-cyclopenta-1,3-dien-1-yl-2-phenylacetamide);iron(2+)

bis(N-cyclopenta-1,3-dien-1-yl-2-phenylacetamide);iron(2+) (PubChem CID 131724440) has the molecular formula C26H24FeN2O2 and a molecular weight of 452.34 g/mol. Its IUPAC name is bis(N-cyclopenta-1,3-dien-1-yl-2-phenylacetamide);iron(2+).

Molecular Properties

Compound Namebis(N-cyclopenta-1,3-dien-1-yl-2-phenylacetamide);iron(2+)
PubChem CID131724440
Molecular FormulaC26H24FeN2O2
Molecular Weight452.34 g/mol
Exact Mass452.12
IUPAC Namebis(N-cyclopenta-1,3-dien-1-yl-2-phenylacetamide);iron(2+)
SMILESO=C(Cc1ccccc1)Nc1ccc[cH-]1.O=C(Cc1ccccc1)Nc1ccc[cH-]1.[Fe+2]
InChIInChI=1S/2C13H12NO.Fe/c2*15-13(14-12-8-4-5-9-12)10-11-6-2-1-3-7-11;/h2*1-9H,10H2,(H,14,15);/q2*-1;+2
InChIKeyIGAJWVHPRWKITH-UHFFFAOYSA-N
XLogP5.17
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.34
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(N-cyclopenta-1,3-dien-1-yl-2-phenylacetamide);iron(2+)?
The IUPAC name of bis(N-cyclopenta-1,3-dien-1-yl-2-phenylacetamide);iron(2+) (CID 131724440) is bis(N-cyclopenta-1,3-dien-1-yl-2-phenylacetamide);iron(2+).
What is the SMILES notation for bis(N-cyclopenta-1,3-dien-1-yl-2-phenylacetamide);iron(2+)?
The canonical SMILES for bis(N-cyclopenta-1,3-dien-1-yl-2-phenylacetamide);iron(2+) is O=C(Cc1ccccc1)Nc1ccc[cH-]1.O=C(Cc1ccccc1)Nc1ccc[cH-]1.[Fe+2].
What is the InChIKey of bis(N-cyclopenta-1,3-dien-1-yl-2-phenylacetamide);iron(2+)?
The InChIKey is IGAJWVHPRWKITH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H12NO.Fe/c2*15-13(14-12-8-4-5-9-12)10-11-6-2-1-3-7-11;/h2*1-9H,10H2,(H,14,15);/q2*-1;+2.
What are the key properties of bis(N-cyclopenta-1,3-dien-1-yl-2-phenylacetamide);iron(2+)?
bis(N-cyclopenta-1,3-dien-1-yl-2-phenylacetamide);iron(2+) has a molecular weight of 452.34 g/mol, XLogP of 5.17, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N-cyclopenta-1,3-dien-1-yl-2-phenylacetamide);iron(2+) is sourced from PubChem (CID 131724440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).