N-(3-chloro-4-fluorophenyl)-N'-[(E)-furan-2-ylmethylideneamino]oxamide

C13H9ClFN3O3 — CID 6890226

IUPACN-(3-chloro-4-fluorophenyl)-N'-[(E)-furan-2-ylmethylideneamino]oxamide
SMILESO=C(N/N=C/c1ccco1)C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C13H9ClFN3O3/c14-10-6-8(3-4-11(10)15)17-12(19)13(20)18-16-7-9-2-1-5-21-9/h1-7H,(H,17,19)(H,18,20)/b16-7+
InChIKeyCFINHEKBEKKXDW-FRKPEAEDSA-N
MW309.68 g/mol
LogP2.16
Rot. Bonds3

About N-(3-chloro-4-fluorophenyl)-N'-[(E)-furan-2-ylmethylideneamino]oxamide

N-(3-chloro-4-fluorophenyl)-N'-[(E)-furan-2-ylmethylideneamino]oxamide (PubChem CID 6890226) has the molecular formula C13H9ClFN3O3 and a molecular weight of 309.68 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-N'-[(E)-furan-2-ylmethylideneamino]oxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-N'-[(E)-furan-2-ylmethylideneamino]oxamide
PubChem CID6890226
Molecular FormulaC13H9ClFN3O3
Molecular Weight309.68 g/mol
Exact Mass309.03
IUPAC NameN-(3-chloro-4-fluorophenyl)-N'-[(E)-furan-2-ylmethylideneamino]oxamide
SMILESO=C(N/N=C/c1ccco1)C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C13H9ClFN3O3/c14-10-6-8(3-4-11(10)15)17-12(19)13(20)18-16-7-9-2-1-5-21-9/h1-7H,(H,17,19)(H,18,20)/b16-7+
InChIKeyCFINHEKBEKKXDW-FRKPEAEDSA-N
XLogP2.16
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.68
LogP ≤ 52.16
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-(4-chloro-3-nitrophenyl)-N'-[(Z)-furan-2-ylmethylideneamino]oxamide
CID 6179708
N-(3-chloro-4-fluorophenyl)-N'-[(E)-(3,4-dichlorophenyl)methylideneamino]oxamide
CID 19658573
(E)-N-(3-chloro-4-fluorophenyl)-3-(furan-2-yl)prop-2-enamide
CID 802779
N-(3-chloro-4-fluorophenyl)-N'-[(E)-[4-(dimethylamino)phenyl]methylideneamino]oxamide
CID 19660151
N'-(1,3-benzodioxol-5-ylmethylideneamino)-N-(3-chloro-4-fluorophenyl)oxamide
CID 5046834
N-[(3-chloro-4-fluorophenyl)carbamothioyl]-3-(furan-2-yl)prop-2-enamide
CID 4927303
3-[(4-chlorobenzoyl)amino]-N-[(Z)-furan-2-ylmethylideneamino]benzamide
CID 5435136
3-[(4-chlorobenzoyl)amino]-N-(furan-2-ylmethylideneamino)benzamide
CID 1034838
N'-(3-chloro-4-fluorophenyl)-N-[(2S)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]oxamide
CID 99872764
N'-(3-chloro-4-fluorophenyl)-N-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]oxamide
CID 95983710
1-(3-chloro-4-fluorophenyl)-3-(furan-2-yl)urea
CID 108868551
3,4-dichloro-N-(furan-2-ylmethylideneamino)benzamide
CID 4991897

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-N'-[(E)-furan-2-ylmethylideneamino]oxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-N'-[(E)-furan-2-ylmethylideneamino]oxamide (CID 6890226) is N-(3-chloro-4-fluorophenyl)-N'-[(E)-furan-2-ylmethylideneamino]oxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-N'-[(E)-furan-2-ylmethylideneamino]oxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-N'-[(E)-furan-2-ylmethylideneamino]oxamide is O=C(N/N=C/c1ccco1)C(=O)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-N'-[(E)-furan-2-ylmethylideneamino]oxamide?
The InChIKey is CFINHEKBEKKXDW-FRKPEAEDSA-N. The full InChI is InChI=1S/C13H9ClFN3O3/c14-10-6-8(3-4-11(10)15)17-12(19)13(20)18-16-7-9-2-1-5-21-9/h1-7H,(H,17,19)(H,18,20)/b16-7+.
What are the key properties of N-(3-chloro-4-fluorophenyl)-N'-[(E)-furan-2-ylmethylideneamino]oxamide?
N-(3-chloro-4-fluorophenyl)-N'-[(E)-furan-2-ylmethylideneamino]oxamide has a molecular weight of 309.68 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-N'-[(E)-furan-2-ylmethylideneamino]oxamide is sourced from PubChem (CID 6890226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).