N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-2-(2-oxobenzo[cd]indol-1-yl)acetamide

C21H16FN3O2 — CID 124546529

IUPACN-[(Z)-1-(4-fluorophenyl)ethylideneamino]-2-(2-oxobenzo[cd]indol-1-yl)acetamide
SMILESC/C(=N/NC(=O)CN1C(=O)c2cccc3cccc1c23)c1ccc(F)cc1
InChIInChI=1S/C21H16FN3O2/c1-13(14-8-10-16(22)11-9-14)23-24-19(26)12-25-18-7-3-5-15-4-2-6-17(20(15)18)21(25)27/h2-11H,12H2,1H3,(H,24,26)/b23-13-
InChIKeyZRXGPEPTLNEWGT-QRVIBDJDSA-N
MW361.38 g/mol
LogP3.48
Rot. Bonds4

About N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-2-(2-oxobenzo[cd]indol-1-yl)acetamide

N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-2-(2-oxobenzo[cd]indol-1-yl)acetamide (PubChem CID 124546529) has the molecular formula C21H16FN3O2 and a molecular weight of 361.38 g/mol. Its IUPAC name is N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-2-(2-oxobenzo[cd]indol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(Z)-1-(4-fluorophenyl)ethylideneamino]-2-(2-oxobenzo[cd]indol-1-yl)acetamide
PubChem CID124546529
Molecular FormulaC21H16FN3O2
Molecular Weight361.38 g/mol
Exact Mass361.12
IUPAC NameN-[(Z)-1-(4-fluorophenyl)ethylideneamino]-2-(2-oxobenzo[cd]indol-1-yl)acetamide
SMILESC/C(=N/NC(=O)CN1C(=O)c2cccc3cccc1c23)c1ccc(F)cc1
InChIInChI=1S/C21H16FN3O2/c1-13(14-8-10-16(22)11-9-14)23-24-19(26)12-25-18-7-3-5-15-4-2-6-17(20(15)18)21(25)27/h2-11H,12H2,1H3,(H,24,26)/b23-13-
InChIKeyZRXGPEPTLNEWGT-QRVIBDJDSA-N
XLogP3.48
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.38
LogP ≤ 53.48
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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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-2-(2-oxobenzo[cd]indol-1-yl)acetamide?
The IUPAC name of N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-2-(2-oxobenzo[cd]indol-1-yl)acetamide (CID 124546529) is N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-2-(2-oxobenzo[cd]indol-1-yl)acetamide.
What is the SMILES notation for N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-2-(2-oxobenzo[cd]indol-1-yl)acetamide?
The canonical SMILES for N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-2-(2-oxobenzo[cd]indol-1-yl)acetamide is C/C(=N/NC(=O)CN1C(=O)c2cccc3cccc1c23)c1ccc(F)cc1.
What is the InChIKey of N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-2-(2-oxobenzo[cd]indol-1-yl)acetamide?
The InChIKey is ZRXGPEPTLNEWGT-QRVIBDJDSA-N. The full InChI is InChI=1S/C21H16FN3O2/c1-13(14-8-10-16(22)11-9-14)23-24-19(26)12-25-18-7-3-5-15-4-2-6-17(20(15)18)21(25)27/h2-11H,12H2,1H3,(H,24,26)/b23-13-.
What are the key properties of N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-2-(2-oxobenzo[cd]indol-1-yl)acetamide?
N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-2-(2-oxobenzo[cd]indol-1-yl)acetamide has a molecular weight of 361.38 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-2-(2-oxobenzo[cd]indol-1-yl)acetamide is sourced from PubChem (CID 124546529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).