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

C16H16ClN3O4 — CID 3825733

IUPACN'-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-N-(2-methoxyethyl)oxamide
SMILESCOCCNC(=O)C(=O)NN=Cc1ccc(-c2cccc(Cl)c2)o1
InChIInChI=1S/C16H16ClN3O4/c1-23-8-7-18-15(21)16(22)20-19-10-13-5-6-14(24-13)11-3-2-4-12(17)9-11/h2-6,9-10H,7-8H2,1H3,(H,18,21)(H,20,22)
InChIKeyIYXKHXMXAVXRJZ-UHFFFAOYSA-N
MW349.77 g/mol
LogP1.81
Rot. Bonds6

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

N'-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-N-(2-methoxyethyl)oxamide (PubChem CID 3825733) has the molecular formula C16H16ClN3O4 and a molecular weight of 349.77 g/mol. Its IUPAC name is N'-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-N-(2-methoxyethyl)oxamide.

Molecular Properties

Compound NameN'-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-N-(2-methoxyethyl)oxamide
PubChem CID3825733
Molecular FormulaC16H16ClN3O4
Molecular Weight349.77 g/mol
Exact Mass349.08
IUPAC NameN'-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-N-(2-methoxyethyl)oxamide
SMILESCOCCNC(=O)C(=O)NN=Cc1ccc(-c2cccc(Cl)c2)o1
InChIInChI=1S/C16H16ClN3O4/c1-23-8-7-18-15(21)16(22)20-19-10-13-5-6-14(24-13)11-3-2-4-12(17)9-11/h2-6,9-10H,7-8H2,1H3,(H,18,21)(H,20,22)
InChIKeyIYXKHXMXAVXRJZ-UHFFFAOYSA-N
XLogP1.81
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.77
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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]-3,5-dimethoxybenzamide
CID 3461046
N'-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-N-(2-fluorophenyl)oxamide
CID 94837463
N'-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-N-(4-phenylmethoxyphenyl)oxamide
CID 94837531
N-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2-hydroxy-2-phenylacetamide
CID 2831961
N'-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide
CID 3705958
N-[(E)-[5-(3-acetylphenyl)furan-2-yl]methylideneamino]-N'-[(Z)-[5-(3-acetylphenyl)furan-2-yl]methylideneamino]oxamide
CID 27059659
N-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-6-methylpyridine-3-carboxamide
CID 947541
1-[[5-[4-fluoro-3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]-3-(2-methoxyethyl)thiourea
CID 76572681
N-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2-(2-methylanilino)acetamide
CID 1356875
N-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2-phenylmethoxybenzamide
CID 19657732
N-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2,2,3,3,4,4,4-heptafluorobutanamide
CID 26074510
methyl N-[(E)-[5-(3-bromophenyl)furan-2-yl]methylideneamino]carbamate
CID 6883365

Frequently Asked Questions

What is the IUPAC name of N'-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-N-(2-methoxyethyl)oxamide?
The IUPAC name of N'-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-N-(2-methoxyethyl)oxamide (CID 3825733) is N'-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-N-(2-methoxyethyl)oxamide.
What is the SMILES notation for N'-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-N-(2-methoxyethyl)oxamide?
The canonical SMILES for N'-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-N-(2-methoxyethyl)oxamide is COCCNC(=O)C(=O)NN=Cc1ccc(-c2cccc(Cl)c2)o1.
What is the InChIKey of N'-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-N-(2-methoxyethyl)oxamide?
The InChIKey is IYXKHXMXAVXRJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O4/c1-23-8-7-18-15(21)16(22)20-19-10-13-5-6-14(24-13)11-3-2-4-12(17)9-11/h2-6,9-10H,7-8H2,1H3,(H,18,21)(H,20,22).
What are the key properties of N'-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-N-(2-methoxyethyl)oxamide?
N'-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-N-(2-methoxyethyl)oxamide has a molecular weight of 349.77 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-N-(2-methoxyethyl)oxamide is sourced from PubChem (CID 3825733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).