2-cyano-N-[(E)-[4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]acetamide

C18H15FN4O3 — CID 5349373

IUPAC2-cyano-N-[(E)-[4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]acetamide
SMILESN#CCC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C18H15FN4O3/c19-14-3-5-15(6-4-14)22-18(25)12-26-16-7-1-13(2-8-16)11-21-23-17(24)9-10-20/h1-8,11H,9,12H2,(H,22,25)(H,23,24)/b21-11+
InChIKeyYJCKBSBWZYOLAS-SRZZPIQSSA-N
MW354.34 g/mol
LogP2.21
Rot. Bonds7

About 2-cyano-N-[(E)-[4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]acetamide

2-cyano-N-[(E)-[4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]acetamide (PubChem CID 5349373) has the molecular formula C18H15FN4O3 and a molecular weight of 354.34 g/mol. Its IUPAC name is 2-cyano-N-[(E)-[4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]acetamide.

Molecular Properties

Compound Name2-cyano-N-[(E)-[4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]acetamide
PubChem CID5349373
Molecular FormulaC18H15FN4O3
Molecular Weight354.34 g/mol
Exact Mass354.11
IUPAC Name2-cyano-N-[(E)-[4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]acetamide
SMILESN#CCC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C18H15FN4O3/c19-14-3-5-15(6-4-14)22-18(25)12-26-16-7-1-13(2-8-16)11-21-23-17(24)9-10-20/h1-8,11H,9,12H2,(H,22,25)(H,23,24)/b21-11+
InChIKeyYJCKBSBWZYOLAS-SRZZPIQSSA-N
XLogP2.21
TPSA103.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.34
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 2-cyano-N-[(E)-[4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]acetamide?
The IUPAC name of 2-cyano-N-[(E)-[4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]acetamide (CID 5349373) is 2-cyano-N-[(E)-[4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]acetamide.
What is the SMILES notation for 2-cyano-N-[(E)-[4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]acetamide?
The canonical SMILES for 2-cyano-N-[(E)-[4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]acetamide is N#CCC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1.
What is the InChIKey of 2-cyano-N-[(E)-[4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]acetamide?
The InChIKey is YJCKBSBWZYOLAS-SRZZPIQSSA-N. The full InChI is InChI=1S/C18H15FN4O3/c19-14-3-5-15(6-4-14)22-18(25)12-26-16-7-1-13(2-8-16)11-21-23-17(24)9-10-20/h1-8,11H,9,12H2,(H,22,25)(H,23,24)/b21-11+.
What are the key properties of 2-cyano-N-[(E)-[4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]acetamide?
2-cyano-N-[(E)-[4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]acetamide has a molecular weight of 354.34 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[(E)-[4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]acetamide is sourced from PubChem (CID 5349373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).