N-[(E)-2,3-dihydroinden-1-ylideneamino]-4-fluorobenzamide

C16H13FN2O — CID 6255931

IUPACN-[(E)-2,3-dihydroinden-1-ylideneamino]-4-fluorobenzamide
SMILESO=C(N/N=C1\CCc2ccccc21)c1ccc(F)cc1
InChIInChI=1S/C16H13FN2O/c17-13-8-5-12(6-9-13)16(20)19-18-15-10-7-11-3-1-2-4-14(11)15/h1-6,8-9H,7,10H2,(H,19,20)/b18-15+
InChIKeyCVWPYGAIXWZDCN-OBGWFSINSA-N
MW268.29 g/mol
LogP2.91
Rot. Bonds2

About N-[(E)-2,3-dihydroinden-1-ylideneamino]-4-fluorobenzamide

N-[(E)-2,3-dihydroinden-1-ylideneamino]-4-fluorobenzamide (PubChem CID 6255931) has the molecular formula C16H13FN2O and a molecular weight of 268.29 g/mol. Its IUPAC name is N-[(E)-2,3-dihydroinden-1-ylideneamino]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[(E)-2,3-dihydroinden-1-ylideneamino]-4-fluorobenzamide
PubChem CID6255931
Molecular FormulaC16H13FN2O
Molecular Weight268.29 g/mol
Exact Mass268.10
IUPAC NameN-[(E)-2,3-dihydroinden-1-ylideneamino]-4-fluorobenzamide
SMILESO=C(N/N=C1\CCc2ccccc21)c1ccc(F)cc1
InChIInChI=1S/C16H13FN2O/c17-13-8-5-12(6-9-13)16(20)19-18-15-10-7-11-3-1-2-4-14(11)15/h1-6,8-9H,7,10H2,(H,19,20)/b18-15+
InChIKeyCVWPYGAIXWZDCN-OBGWFSINSA-N
XLogP2.91
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-2,3-dihydroinden-1-ylideneamino]-4-fluorobenzamide?
The IUPAC name of N-[(E)-2,3-dihydroinden-1-ylideneamino]-4-fluorobenzamide (CID 6255931) is N-[(E)-2,3-dihydroinden-1-ylideneamino]-4-fluorobenzamide.
What is the SMILES notation for N-[(E)-2,3-dihydroinden-1-ylideneamino]-4-fluorobenzamide?
The canonical SMILES for N-[(E)-2,3-dihydroinden-1-ylideneamino]-4-fluorobenzamide is O=C(N/N=C1\CCc2ccccc21)c1ccc(F)cc1.
What is the InChIKey of N-[(E)-2,3-dihydroinden-1-ylideneamino]-4-fluorobenzamide?
The InChIKey is CVWPYGAIXWZDCN-OBGWFSINSA-N. The full InChI is InChI=1S/C16H13FN2O/c17-13-8-5-12(6-9-13)16(20)19-18-15-10-7-11-3-1-2-4-14(11)15/h1-6,8-9H,7,10H2,(H,19,20)/b18-15+.
What are the key properties of N-[(E)-2,3-dihydroinden-1-ylideneamino]-4-fluorobenzamide?
N-[(E)-2,3-dihydroinden-1-ylideneamino]-4-fluorobenzamide has a molecular weight of 268.29 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2,3-dihydroinden-1-ylideneamino]-4-fluorobenzamide is sourced from PubChem (CID 6255931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).