N-[(E)-[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylideneamino]acetamide

C13H10ClFN2O2 — CID 5349713

IUPACN-[(E)-[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylideneamino]acetamide
SMILESCC(=O)N/N=C/c1ccc(-c2ccc(F)c(Cl)c2)o1
InChIInChI=1S/C13H10ClFN2O2/c1-8(18)17-16-7-10-3-5-13(19-10)9-2-4-12(15)11(14)6-9/h2-7H,1H3,(H,17,18)/b16-7+
InChIKeyWUFWNUMVCLSSOW-FRKPEAEDSA-N
MW280.69 g/mol
LogP3.21
Rot. Bonds3

About N-[(E)-[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylideneamino]acetamide

N-[(E)-[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylideneamino]acetamide (PubChem CID 5349713) has the molecular formula C13H10ClFN2O2 and a molecular weight of 280.69 g/mol. Its IUPAC name is N-[(E)-[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylideneamino]acetamide.

Molecular Properties

Compound NameN-[(E)-[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylideneamino]acetamide
PubChem CID5349713
Molecular FormulaC13H10ClFN2O2
Molecular Weight280.69 g/mol
Exact Mass280.04
IUPAC NameN-[(E)-[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylideneamino]acetamide
SMILESCC(=O)N/N=C/c1ccc(-c2ccc(F)c(Cl)c2)o1
InChIInChI=1S/C13H10ClFN2O2/c1-8(18)17-16-7-10-3-5-13(19-10)9-2-4-12(15)11(14)6-9/h2-7H,1H3,(H,17,18)/b16-7+
InChIKeyWUFWNUMVCLSSOW-FRKPEAEDSA-N
XLogP3.21
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.69
LogP ≤ 53.21
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)-[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylideneamino]acetamide?
The IUPAC name of N-[(E)-[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylideneamino]acetamide (CID 5349713) is N-[(E)-[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylideneamino]acetamide.
What is the SMILES notation for N-[(E)-[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylideneamino]acetamide?
The canonical SMILES for N-[(E)-[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylideneamino]acetamide is CC(=O)N/N=C/c1ccc(-c2ccc(F)c(Cl)c2)o1.
What is the InChIKey of N-[(E)-[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylideneamino]acetamide?
The InChIKey is WUFWNUMVCLSSOW-FRKPEAEDSA-N. The full InChI is InChI=1S/C13H10ClFN2O2/c1-8(18)17-16-7-10-3-5-13(19-10)9-2-4-12(15)11(14)6-9/h2-7H,1H3,(H,17,18)/b16-7+.
What are the key properties of N-[(E)-[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylideneamino]acetamide?
N-[(E)-[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylideneamino]acetamide has a molecular weight of 280.69 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylideneamino]acetamide is sourced from PubChem (CID 5349713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).