N'-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-N-(2-fluorophenyl)oxamide

C19H13ClFN3O3 — CID 94837463

IUPACN'-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-N-(2-fluorophenyl)oxamide
SMILESO=C(N/N=C/c1ccc(-c2cccc(Cl)c2)o1)C(=O)Nc1ccccc1F
InChIInChI=1S/C19H13ClFN3O3/c20-13-5-3-4-12(10-13)17-9-8-14(27-17)11-22-24-19(26)18(25)23-16-7-2-1-6-15(16)21/h1-11H,(H,23,25)(H,24,26)/b22-11+
InChIKeyFVHORRQUTCXWFP-SSDVNMTOSA-N
MW385.78 g/mol
LogP3.83
Rot. Bonds4

About N'-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-N-(2-fluorophenyl)oxamide

N'-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-N-(2-fluorophenyl)oxamide (PubChem CID 94837463) has the molecular formula C19H13ClFN3O3 and a molecular weight of 385.78 g/mol. Its IUPAC name is N'-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-N-(2-fluorophenyl)oxamide.

Molecular Properties

Compound NameN'-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-N-(2-fluorophenyl)oxamide
PubChem CID94837463
Molecular FormulaC19H13ClFN3O3
Molecular Weight385.78 g/mol
Exact Mass385.06
IUPAC NameN'-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-N-(2-fluorophenyl)oxamide
SMILESO=C(N/N=C/c1ccc(-c2cccc(Cl)c2)o1)C(=O)Nc1ccccc1F
InChIInChI=1S/C19H13ClFN3O3/c20-13-5-3-4-12(10-13)17-9-8-14(27-17)11-22-24-19(26)18(25)23-16-7-2-1-6-15(16)21/h1-11H,(H,23,25)(H,24,26)/b22-11+
InChIKeyFVHORRQUTCXWFP-SSDVNMTOSA-N
XLogP3.83
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.78
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide
CID 3705958
(Z)-3-[5-(3-chlorophenyl)furan-2-yl]-2-cyano-N-(2-fluorophenyl)prop-2-enamide
CID 124652231
N'-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-N-(4-phenylmethoxyphenyl)oxamide
CID 94837531
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]-2,2,3,3,4,4,4-heptafluorobutanamide
CID 26074510
N-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2-hydroxy-2-phenylacetamide
CID 2831961
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'-[(E)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-N-(2-ethoxyphenyl)oxamide
CID 94837533
N-[(E)-[5-(3-acetylphenyl)furan-2-yl]methylideneamino]-N'-[(Z)-[5-(3-acetylphenyl)furan-2-yl]methylideneamino]oxamide
CID 27059659

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-N-(2-fluorophenyl)oxamide?
The IUPAC name of N'-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-N-(2-fluorophenyl)oxamide (CID 94837463) is N'-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-N-(2-fluorophenyl)oxamide.
What is the SMILES notation for N'-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-N-(2-fluorophenyl)oxamide?
The canonical SMILES for N'-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-N-(2-fluorophenyl)oxamide is O=C(N/N=C/c1ccc(-c2cccc(Cl)c2)o1)C(=O)Nc1ccccc1F.
What is the InChIKey of N'-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-N-(2-fluorophenyl)oxamide?
The InChIKey is FVHORRQUTCXWFP-SSDVNMTOSA-N. The full InChI is InChI=1S/C19H13ClFN3O3/c20-13-5-3-4-12(10-13)17-9-8-14(27-17)11-22-24-19(26)18(25)23-16-7-2-1-6-15(16)21/h1-11H,(H,23,25)(H,24,26)/b22-11+.
What are the key properties of N'-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-N-(2-fluorophenyl)oxamide?
N'-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-N-(2-fluorophenyl)oxamide has a molecular weight of 385.78 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-N-(2-fluorophenyl)oxamide is sourced from PubChem (CID 94837463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).