N-[(Z)-2,3-dihydroinden-1-ylideneamino]-2-(4-fluorophenoxy)acetamide

C17H15FN2O2 — CID 6035258

IUPACN-[(Z)-2,3-dihydroinden-1-ylideneamino]-2-(4-fluorophenoxy)acetamide
SMILESO=C(COc1ccc(F)cc1)N/N=C1/CCc2ccccc21
InChIInChI=1S/C17H15FN2O2/c18-13-6-8-14(9-7-13)22-11-17(21)20-19-16-10-5-12-3-1-2-4-15(12)16/h1-4,6-9H,5,10-11H2,(H,20,21)/b19-16-
InChIKeyCAKGTQPBKPUWFI-MNDPQUGUSA-N
MW298.32 g/mol
LogP2.67
Rot. Bonds4

About N-[(Z)-2,3-dihydroinden-1-ylideneamino]-2-(4-fluorophenoxy)acetamide

N-[(Z)-2,3-dihydroinden-1-ylideneamino]-2-(4-fluorophenoxy)acetamide (PubChem CID 6035258) has the molecular formula C17H15FN2O2 and a molecular weight of 298.32 g/mol. Its IUPAC name is N-[(Z)-2,3-dihydroinden-1-ylideneamino]-2-(4-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-[(Z)-2,3-dihydroinden-1-ylideneamino]-2-(4-fluorophenoxy)acetamide
PubChem CID6035258
Molecular FormulaC17H15FN2O2
Molecular Weight298.32 g/mol
Exact Mass298.11
IUPAC NameN-[(Z)-2,3-dihydroinden-1-ylideneamino]-2-(4-fluorophenoxy)acetamide
SMILESO=C(COc1ccc(F)cc1)N/N=C1/CCc2ccccc21
InChIInChI=1S/C17H15FN2O2/c18-13-6-8-14(9-7-13)22-11-17(21)20-19-16-10-5-12-3-1-2-4-15(12)16/h1-4,6-9H,5,10-11H2,(H,20,21)/b19-16-
InChIKeyCAKGTQPBKPUWFI-MNDPQUGUSA-N
XLogP2.67
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 52.67
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-(4-tert-butylphenoxy)-N-[(Z)-2,3-dihydroinden-1-ylideneamino]acetamide
CID 7929753
N-[(E)-2,3-dihydroinden-1-ylideneamino]-2-naphthalen-2-yloxyacetamide
CID 46662511
N-[(E)-2,3-dihydroinden-1-ylideneamino]-4-fluorobenzamide
CID 6255931
N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-(4-phenylmethoxyphenoxy)acetamide
CID 5191870
N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-2-(4-fluorophenoxy)acetamide
CID 162738460
N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-naphthalen-2-yloxyacetamide
CID 968751
N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-(3-methylphenoxy)acetamide
CID 968541
N-(2,3-dihydroinden-1-ylideneamino)-2-[(4-fluorophenyl)methoxy]benzamide
CID 5237889
2-(4-bromo-3-methylphenoxy)-N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]acetamide
CID 6528002
N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-(2-propan-2-ylphenoxy)acetamide
CID 922588
N-[(E)-2,3-dihydroinden-1-ylideneamino]-2-pyridin-1-ium-1-ylacetamide
CID 6085414
N-[(Z)-2,3-dihydroinden-1-ylideneamino]-4-hydroxybenzamide
CID 6517128

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2,3-dihydroinden-1-ylideneamino]-2-(4-fluorophenoxy)acetamide?
The IUPAC name of N-[(Z)-2,3-dihydroinden-1-ylideneamino]-2-(4-fluorophenoxy)acetamide (CID 6035258) is N-[(Z)-2,3-dihydroinden-1-ylideneamino]-2-(4-fluorophenoxy)acetamide.
What is the SMILES notation for N-[(Z)-2,3-dihydroinden-1-ylideneamino]-2-(4-fluorophenoxy)acetamide?
The canonical SMILES for N-[(Z)-2,3-dihydroinden-1-ylideneamino]-2-(4-fluorophenoxy)acetamide is O=C(COc1ccc(F)cc1)N/N=C1/CCc2ccccc21.
What is the InChIKey of N-[(Z)-2,3-dihydroinden-1-ylideneamino]-2-(4-fluorophenoxy)acetamide?
The InChIKey is CAKGTQPBKPUWFI-MNDPQUGUSA-N. The full InChI is InChI=1S/C17H15FN2O2/c18-13-6-8-14(9-7-13)22-11-17(21)20-19-16-10-5-12-3-1-2-4-15(12)16/h1-4,6-9H,5,10-11H2,(H,20,21)/b19-16-.
What are the key properties of N-[(Z)-2,3-dihydroinden-1-ylideneamino]-2-(4-fluorophenoxy)acetamide?
N-[(Z)-2,3-dihydroinden-1-ylideneamino]-2-(4-fluorophenoxy)acetamide has a molecular weight of 298.32 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2,3-dihydroinden-1-ylideneamino]-2-(4-fluorophenoxy)acetamide is sourced from PubChem (CID 6035258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).