3-[2-oxo-2-(9-oxofluoren-1-yl)ethyl]benzenecarboximidamide

C22H16N2O2 — CID 58046904

IUPAC3-[2-oxo-2-(9-oxofluoren-1-yl)ethyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(CC(=O)c2cccc3c2C(=O)c2ccccc2-3)c1
InChIInChI=1S/C22H16N2O2/c23-22(24)14-6-3-5-13(11-14)12-19(25)18-10-4-9-16-15-7-1-2-8-17(15)21(26)20(16)18/h1-11H,12H2,(H3,23,24)
InChIKeyLXYQPCQJOHEHJV-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.61
Rot. Bonds4

About 3-[2-oxo-2-(9-oxofluoren-1-yl)ethyl]benzenecarboximidamide

3-[2-oxo-2-(9-oxofluoren-1-yl)ethyl]benzenecarboximidamide (PubChem CID 58046904) has the molecular formula C22H16N2O2 and a molecular weight of 340.38 g/mol. Its IUPAC name is 3-[2-oxo-2-(9-oxofluoren-1-yl)ethyl]benzenecarboximidamide.

Molecular Properties

Compound Name3-[2-oxo-2-(9-oxofluoren-1-yl)ethyl]benzenecarboximidamide
PubChem CID58046904
Molecular FormulaC22H16N2O2
Molecular Weight340.38 g/mol
Exact Mass340.12
IUPAC Name3-[2-oxo-2-(9-oxofluoren-1-yl)ethyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(CC(=O)c2cccc3c2C(=O)c2ccccc2-3)c1
InChIInChI=1S/C22H16N2O2/c23-22(24)14-6-3-5-13(11-14)12-19(25)18-10-4-9-16-15-7-1-2-8-17(15)21(26)20(16)18/h1-11H,12H2,(H3,23,24)
InChIKeyLXYQPCQJOHEHJV-UHFFFAOYSA-N
XLogP3.61
TPSA84.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-[2-[3-(trifluoromethoxy)phenyl]acetyl]fluoren-9-one
CID 58046898
3-(3-carbamimidoylphenyl)-2-iminopropanamide
CID 87674720
9,10-dioxoanthracene-2,3-dicarboximidamide
CID 152601753
3-[[3-[(3-carbamimidoylphenyl)methyl]-2-oxoimidazol-1-yl]methyl]benzenecarboximidamide
CID 19689343
2-(3-carbamimidoylphenyl)-N-[(4-carbamimidoylphenyl)methyl]benzamide
CID 87951271
3-[(2-bromophenyl)methoxymethyl]benzenecarboximidamide
CID 82253918
benzyl 3-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]benzoate
CID 22626543
9-oxofluorene-1-carboxylate
CID 6928439
3-[(Z)-3-(3-carbamimidoylphenyl)prop-2-enyl]benzenecarboximidamide
CID 70416553
N-tert-butyl-3-(3-carbamimidoylphenyl)-2-methylpropanamide
CID 22888514
3-(2-phenylethenylsulfonylmethyl)benzenecarboximidamide
CID 57002364
N-[(3-carbamimidoylphenyl)methyl]azepane-1-carboxamide
CID 79152751

Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-2-(9-oxofluoren-1-yl)ethyl]benzenecarboximidamide?
The IUPAC name of 3-[2-oxo-2-(9-oxofluoren-1-yl)ethyl]benzenecarboximidamide (CID 58046904) is 3-[2-oxo-2-(9-oxofluoren-1-yl)ethyl]benzenecarboximidamide.
What is the SMILES notation for 3-[2-oxo-2-(9-oxofluoren-1-yl)ethyl]benzenecarboximidamide?
The canonical SMILES for 3-[2-oxo-2-(9-oxofluoren-1-yl)ethyl]benzenecarboximidamide is [H]/N=C(\N)c1cccc(CC(=O)c2cccc3c2C(=O)c2ccccc2-3)c1.
What is the InChIKey of 3-[2-oxo-2-(9-oxofluoren-1-yl)ethyl]benzenecarboximidamide?
The InChIKey is LXYQPCQJOHEHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O2/c23-22(24)14-6-3-5-13(11-14)12-19(25)18-10-4-9-16-15-7-1-2-8-17(15)21(26)20(16)18/h1-11H,12H2,(H3,23,24).
What are the key properties of 3-[2-oxo-2-(9-oxofluoren-1-yl)ethyl]benzenecarboximidamide?
3-[2-oxo-2-(9-oxofluoren-1-yl)ethyl]benzenecarboximidamide has a molecular weight of 340.38 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-oxo-2-(9-oxofluoren-1-yl)ethyl]benzenecarboximidamide is sourced from PubChem (CID 58046904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).