N-(2,3-dihydroinden-1-ylideneamino)-2-[(4-fluorophenyl)methoxy]benzamide

C23H19FN2O2 — CID 5237889

IUPACN-(2,3-dihydroinden-1-ylideneamino)-2-[(4-fluorophenyl)methoxy]benzamide
SMILESO=C(NN=C1CCc2ccccc21)c1ccccc1OCc1ccc(F)cc1
InChIInChI=1S/C23H19FN2O2/c24-18-12-9-16(10-13-18)15-28-22-8-4-3-7-20(22)23(27)26-25-21-14-11-17-5-1-2-6-19(17)21/h1-10,12-13H,11,14-15H2,(H,26,27)
InChIKeyDXBHQSINKYTCBK-UHFFFAOYSA-N
MW374.42 g/mol
LogP4.49
Rot. Bonds5

About N-(2,3-dihydroinden-1-ylideneamino)-2-[(4-fluorophenyl)methoxy]benzamide

N-(2,3-dihydroinden-1-ylideneamino)-2-[(4-fluorophenyl)methoxy]benzamide (PubChem CID 5237889) has the molecular formula C23H19FN2O2 and a molecular weight of 374.42 g/mol. Its IUPAC name is N-(2,3-dihydroinden-1-ylideneamino)-2-[(4-fluorophenyl)methoxy]benzamide.

Molecular Properties

Compound NameN-(2,3-dihydroinden-1-ylideneamino)-2-[(4-fluorophenyl)methoxy]benzamide
PubChem CID5237889
Molecular FormulaC23H19FN2O2
Molecular Weight374.42 g/mol
Exact Mass374.14
IUPAC NameN-(2,3-dihydroinden-1-ylideneamino)-2-[(4-fluorophenyl)methoxy]benzamide
SMILESO=C(NN=C1CCc2ccccc21)c1ccccc1OCc1ccc(F)cc1
InChIInChI=1S/C23H19FN2O2/c24-18-12-9-16(10-13-18)15-28-22-8-4-3-7-20(22)23(27)26-25-21-14-11-17-5-1-2-6-19(17)21/h1-10,12-13H,11,14-15H2,(H,26,27)
InChIKeyDXBHQSINKYTCBK-UHFFFAOYSA-N
XLogP4.49
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Related Compounds

2-[(2-chlorophenyl)methoxy]-N-[(Z)-2,3-dihydroinden-1-ylideneamino]benzamide
CID 6536600
2-[(2-chlorophenyl)methoxy]-N-[(E)-2,3-dihydroinden-1-ylideneamino]benzamide
CID 6310157
2-[(2-chlorophenyl)methoxy]-N-(2,3-dihydroinden-1-ylideneamino)benzamide
CID 5237892
2-[(2-chlorophenyl)methoxy]-N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)benzamide
CID 5203268
N-[(Z)-2,3-dihydroinden-1-ylideneamino]-2-(4-fluorophenoxy)acetamide
CID 6035258
N-[(Z)-2,3-dihydroinden-1-ylideneamino]-4-hydroxybenzamide
CID 6517128
N'-(1-cyclopropylideneethyl)-2-[(4-fluorophenyl)methoxy]benzohydrazide
CID 2415467
2-[(4-fluorophenyl)methoxy]-N'-phenylbenzohydrazide
CID 78774963
N-(2-fluorophenyl)-2-[(4-fluorophenyl)methoxy]benzamide
CID 26115053
2-phenylmethoxy-N-[(1-propan-2-ylpiperidin-1-ium-4-ylidene)amino]benzamide
CID 8714658
2-phenylmethoxy-N-(propan-2-ylideneamino)benzamide
CID 5200532
N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-hydroxybenzamide
CID 4999116

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroinden-1-ylideneamino)-2-[(4-fluorophenyl)methoxy]benzamide?
The IUPAC name of N-(2,3-dihydroinden-1-ylideneamino)-2-[(4-fluorophenyl)methoxy]benzamide (CID 5237889) is N-(2,3-dihydroinden-1-ylideneamino)-2-[(4-fluorophenyl)methoxy]benzamide.
What is the SMILES notation for N-(2,3-dihydroinden-1-ylideneamino)-2-[(4-fluorophenyl)methoxy]benzamide?
The canonical SMILES for N-(2,3-dihydroinden-1-ylideneamino)-2-[(4-fluorophenyl)methoxy]benzamide is O=C(NN=C1CCc2ccccc21)c1ccccc1OCc1ccc(F)cc1.
What is the InChIKey of N-(2,3-dihydroinden-1-ylideneamino)-2-[(4-fluorophenyl)methoxy]benzamide?
The InChIKey is DXBHQSINKYTCBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2O2/c24-18-12-9-16(10-13-18)15-28-22-8-4-3-7-20(22)23(27)26-25-21-14-11-17-5-1-2-6-19(17)21/h1-10,12-13H,11,14-15H2,(H,26,27).
What are the key properties of N-(2,3-dihydroinden-1-ylideneamino)-2-[(4-fluorophenyl)methoxy]benzamide?
N-(2,3-dihydroinden-1-ylideneamino)-2-[(4-fluorophenyl)methoxy]benzamide has a molecular weight of 374.42 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroinden-1-ylideneamino)-2-[(4-fluorophenyl)methoxy]benzamide is sourced from PubChem (CID 5237889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).