CID 56652210

C19H18FFeNO+2 — CID 56652210

IUPAC—
SMILESO=C(CCNc1ccccc1F)[C]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe+2]
InChIInChI=1S/C14H13FNO.C5H5.Fe/c15-12-7-3-4-8-13(12)16-10-9-14(17)11-5-1-2-6-11;1-2-4-5-3-1;/h1-8,16H,9-10H2;1-5H;/q;;+2
InChIKeyOABFOHZDEVTIBG-UHFFFAOYSA-N
MW351.20 g/mol
LogP3.62
Rot. Bonds5

About CID 56652210

CID 56652210 (PubChem CID 56652210) has the molecular formula C19H18FFeNO+2 and a molecular weight of 351.20 g/mol.

Molecular Properties

Compound NameCID 56652210
PubChem CID56652210
Molecular FormulaC19H18FFeNO+2
Molecular Weight351.20 g/mol
Exact Mass351.07
IUPAC Name—
SMILESO=C(CCNc1ccccc1F)[C]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe+2]
InChIInChI=1S/C14H13FNO.C5H5.Fe/c15-12-7-3-4-8-13(12)16-10-9-14(17)11-5-1-2-6-11;1-2-4-5-3-1;/h1-8,16H,9-10H2;1-5H;/q;;+2
InChIKeyOABFOHZDEVTIBG-UHFFFAOYSA-N
XLogP3.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.20
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 66553833
CID 66553833
1-(3,4-dimethylphenyl)-3-(2-fluoroanilino)propan-1-one
CID 94281167
1-(3-amino-4-methylphenyl)-3-(2-fluoroanilino)propan-1-one
CID 96668427
CID 66553907
CID 66553907
tert-butyl 3-(2-fluoroanilino)propanoate
CID 19023587
methyl 4-(2-fluoroanilino)butanoate
CID 43377911
3-(2-fluoroanilino)-N-(4-methylphenyl)propanamide
CID 109034353
N-[(4-chlorophenyl)methyl]-3-(2-fluoroanilino)propanamide
CID 109021705
N-butyl-3-(2-fluoroanilino)-N-methylpropanamide
CID 109032361
3-(2-fluoroanilino)-N-[(2-methylphenyl)methyl]propanamide
CID 109019162
N-(2,4-dimethylphenyl)-3-(2-fluoroanilino)propanamide
CID 109035088
5-(2-fluoroanilino)pentan-1-ol
CID 62227332

Frequently Asked Questions

What is the IUPAC name of CID 56652210?
The IUPAC name of CID 56652210 (CID 56652210) is not available.
What is the SMILES notation for CID 56652210?
The canonical SMILES for CID 56652210 is O=C(CCNc1ccccc1F)[C]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe+2].
What is the InChIKey of CID 56652210?
The InChIKey is OABFOHZDEVTIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FNO.C5H5.Fe/c15-12-7-3-4-8-13(12)16-10-9-14(17)11-5-1-2-6-11;1-2-4-5-3-1;/h1-8,16H,9-10H2;1-5H;/q;;+2.
What are the key properties of CID 56652210?
CID 56652210 has a molecular weight of 351.20 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 56652210 is sourced from PubChem (CID 56652210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).