N-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2,2,3,3,4,4,4-heptafluorobutanamide

C15H8ClF7N2O2 — CID 26074510

IUPACN-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2,2,3,3,4,4,4-heptafluorobutanamide
SMILESO=C(N/N=C/c1ccc(-c2cccc(Cl)c2)o1)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C15H8ClF7N2O2/c16-9-3-1-2-8(6-9)11-5-4-10(27-11)7-24-25-12(26)13(17,18)14(19,20)15(21,22)23/h1-7H,(H,25,26)/b24-7+
InChIKeyUOCSXUOCPAKZPZ-HCBMXOAHSA-N
MW416.68 g/mol
LogP4.88
Rot. Bonds5

About N-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2,2,3,3,4,4,4-heptafluorobutanamide

N-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2,2,3,3,4,4,4-heptafluorobutanamide (PubChem CID 26074510) has the molecular formula C15H8ClF7N2O2 and a molecular weight of 416.68 g/mol. Its IUPAC name is N-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2,2,3,3,4,4,4-heptafluorobutanamide.

Molecular Properties

Compound NameN-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2,2,3,3,4,4,4-heptafluorobutanamide
PubChem CID26074510
Molecular FormulaC15H8ClF7N2O2
Molecular Weight416.68 g/mol
Exact Mass416.02
IUPAC NameN-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2,2,3,3,4,4,4-heptafluorobutanamide
SMILESO=C(N/N=C/c1ccc(-c2cccc(Cl)c2)o1)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C15H8ClF7N2O2/c16-9-3-1-2-8(6-9)11-5-4-10(27-11)7-24-25-12(26)13(17,18)14(19,20)15(21,22)23/h1-7H,(H,25,26)/b24-7+
InChIKeyUOCSXUOCPAKZPZ-HCBMXOAHSA-N
XLogP4.88
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.68
LogP ≤ 54.88
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'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

N'-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide
CID 3705958
N-[[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-2,2,3,3,4,4,4-heptafluorobutanamide
CID 171138890
N-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2-hydroxy-2-phenylacetamide
CID 2831961
N'-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-N-(2-fluorophenyl)oxamide
CID 94837463
N-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-3,5-dimethoxybenzamide
CID 3461046
N-[(Z)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-9H-xanthene-9-carboxamide
CID 95395767
N-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-9H-xanthene-9-carboxamide
CID 53371400
N-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-6-methylpyridine-3-carboxamide
CID 947541
N'-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-N-(2-methoxyethyl)oxamide
CID 3825733
N-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2-(2-methylanilino)acetamide
CID 1356875
1-(4-chlorophenyl)-3-[(E)-[5-(3-fluorophenyl)furan-2-yl]methylideneamino]urea
CID 126027035
N-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-1-(2,6-dichlorophenyl)methanamine
CID 19060006

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2,2,3,3,4,4,4-heptafluorobutanamide?
The IUPAC name of N-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2,2,3,3,4,4,4-heptafluorobutanamide (CID 26074510) is N-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2,2,3,3,4,4,4-heptafluorobutanamide.
What is the SMILES notation for N-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2,2,3,3,4,4,4-heptafluorobutanamide?
The canonical SMILES for N-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2,2,3,3,4,4,4-heptafluorobutanamide is O=C(N/N=C/c1ccc(-c2cccc(Cl)c2)o1)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of N-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2,2,3,3,4,4,4-heptafluorobutanamide?
The InChIKey is UOCSXUOCPAKZPZ-HCBMXOAHSA-N. The full InChI is InChI=1S/C15H8ClF7N2O2/c16-9-3-1-2-8(6-9)11-5-4-10(27-11)7-24-25-12(26)13(17,18)14(19,20)15(21,22)23/h1-7H,(H,25,26)/b24-7+.
What are the key properties of N-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2,2,3,3,4,4,4-heptafluorobutanamide?
N-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2,2,3,3,4,4,4-heptafluorobutanamide has a molecular weight of 416.68 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2,2,3,3,4,4,4-heptafluorobutanamide is sourced from PubChem (CID 26074510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).