(E)-but-2-enedioic acid;4-fluorobenzamide

C11H10FNO5 — CID 69010186

IUPAC(E)-but-2-enedioic acid;4-fluorobenzamide
SMILESNC(=O)c1ccc(F)cc1.O=C(O)/C=C/C(=O)O
InChIInChI=1S/C7H6FNO.C4H4O4/c8-6-3-1-5(2-4-6)7(9)10;5-3(6)1-2-4(7)8/h1-4H,(H2,9,10);1-2H,(H,5,6)(H,7,8)/b;2-1+
InChIKeyUIVWLIXBDOLHAE-WLHGVMLRSA-N
MW255.20 g/mol
LogP0.64
Rot. Bonds3

About (E)-but-2-enedioic acid;4-fluorobenzamide

(E)-but-2-enedioic acid;4-fluorobenzamide (PubChem CID 69010186) has the molecular formula C11H10FNO5 and a molecular weight of 255.20 g/mol. Its IUPAC name is (E)-but-2-enedioic acid;4-fluorobenzamide.

Molecular Properties

Compound Name(E)-but-2-enedioic acid;4-fluorobenzamide
PubChem CID69010186
Molecular FormulaC11H10FNO5
Molecular Weight255.20 g/mol
Exact Mass255.05
IUPAC Name(E)-but-2-enedioic acid;4-fluorobenzamide
SMILESNC(=O)c1ccc(F)cc1.O=C(O)/C=C/C(=O)O
InChIInChI=1S/C7H6FNO.C4H4O4/c8-6-3-1-5(2-4-6)7(9)10;5-3(6)1-2-4(7)8/h1-4H,(H2,9,10);1-2H,(H,5,6)(H,7,8)/b;2-1+
InChIKeyUIVWLIXBDOLHAE-WLHGVMLRSA-N
XLogP0.64
TPSA117.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.20
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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(E)-but-2-enedioic acid;4-phenoxybenzamide
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4-[[(4-fluorophenyl)methyl-methylamino]methyl]benzamide
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4-[[N-[(4-fluorophenyl)methyl]anilino]methyl]benzamide
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(Z)-3-amino-1-(4-fluorophenyl)-3-phenylprop-2-en-1-one
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Frequently Asked Questions

What is the IUPAC name of (E)-but-2-enedioic acid;4-fluorobenzamide?
The IUPAC name of (E)-but-2-enedioic acid;4-fluorobenzamide (CID 69010186) is (E)-but-2-enedioic acid;4-fluorobenzamide.
What is the SMILES notation for (E)-but-2-enedioic acid;4-fluorobenzamide?
The canonical SMILES for (E)-but-2-enedioic acid;4-fluorobenzamide is NC(=O)c1ccc(F)cc1.O=C(O)/C=C/C(=O)O.
What is the InChIKey of (E)-but-2-enedioic acid;4-fluorobenzamide?
The InChIKey is UIVWLIXBDOLHAE-WLHGVMLRSA-N. The full InChI is InChI=1S/C7H6FNO.C4H4O4/c8-6-3-1-5(2-4-6)7(9)10;5-3(6)1-2-4(7)8/h1-4H,(H2,9,10);1-2H,(H,5,6)(H,7,8)/b;2-1+.
What are the key properties of (E)-but-2-enedioic acid;4-fluorobenzamide?
(E)-but-2-enedioic acid;4-fluorobenzamide has a molecular weight of 255.20 g/mol, XLogP of 0.64, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-but-2-enedioic acid;4-fluorobenzamide is sourced from PubChem (CID 69010186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).