N-[(E)-1-(5-chlorothiophen-2-yl)ethylideneamino]-4-fluorobenzamide

C13H10ClFN2OS — CID 6018515

IUPACN-[(E)-1-(5-chlorothiophen-2-yl)ethylideneamino]-4-fluorobenzamide
SMILESC/C(=N\NC(=O)c1ccc(F)cc1)c1ccc(Cl)s1
InChIInChI=1S/C13H10ClFN2OS/c1-8(11-6-7-12(14)19-11)16-17-13(18)9-2-4-10(15)5-3-9/h2-7H,1H3,(H,17,18)/b16-8+
InChIKeyUGWWBAXOOMRRQF-LZYBPNLTSA-N
MW296.75 g/mol
LogP3.69
Rot. Bonds3

About N-[(E)-1-(5-chlorothiophen-2-yl)ethylideneamino]-4-fluorobenzamide

N-[(E)-1-(5-chlorothiophen-2-yl)ethylideneamino]-4-fluorobenzamide (PubChem CID 6018515) has the molecular formula C13H10ClFN2OS and a molecular weight of 296.75 g/mol. Its IUPAC name is N-[(E)-1-(5-chlorothiophen-2-yl)ethylideneamino]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[(E)-1-(5-chlorothiophen-2-yl)ethylideneamino]-4-fluorobenzamide
PubChem CID6018515
Molecular FormulaC13H10ClFN2OS
Molecular Weight296.75 g/mol
Exact Mass296.02
IUPAC NameN-[(E)-1-(5-chlorothiophen-2-yl)ethylideneamino]-4-fluorobenzamide
SMILESC/C(=N\NC(=O)c1ccc(F)cc1)c1ccc(Cl)s1
InChIInChI=1S/C13H10ClFN2OS/c1-8(11-6-7-12(14)19-11)16-17-13(18)9-2-4-10(15)5-3-9/h2-7H,1H3,(H,17,18)/b16-8+
InChIKeyUGWWBAXOOMRRQF-LZYBPNLTSA-N
XLogP3.69
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 53.69
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-[(E)-1-(5-chlorothiophen-2-yl)ethylideneamino]-4-fluorobenzamide?
The IUPAC name of N-[(E)-1-(5-chlorothiophen-2-yl)ethylideneamino]-4-fluorobenzamide (CID 6018515) is N-[(E)-1-(5-chlorothiophen-2-yl)ethylideneamino]-4-fluorobenzamide.
What is the SMILES notation for N-[(E)-1-(5-chlorothiophen-2-yl)ethylideneamino]-4-fluorobenzamide?
The canonical SMILES for N-[(E)-1-(5-chlorothiophen-2-yl)ethylideneamino]-4-fluorobenzamide is C/C(=N\NC(=O)c1ccc(F)cc1)c1ccc(Cl)s1.
What is the InChIKey of N-[(E)-1-(5-chlorothiophen-2-yl)ethylideneamino]-4-fluorobenzamide?
The InChIKey is UGWWBAXOOMRRQF-LZYBPNLTSA-N. The full InChI is InChI=1S/C13H10ClFN2OS/c1-8(11-6-7-12(14)19-11)16-17-13(18)9-2-4-10(15)5-3-9/h2-7H,1H3,(H,17,18)/b16-8+.
What are the key properties of N-[(E)-1-(5-chlorothiophen-2-yl)ethylideneamino]-4-fluorobenzamide?
N-[(E)-1-(5-chlorothiophen-2-yl)ethylideneamino]-4-fluorobenzamide has a molecular weight of 296.75 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(5-chlorothiophen-2-yl)ethylideneamino]-4-fluorobenzamide is sourced from PubChem (CID 6018515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).