N-(2-fluorophenyl)-N'-(thiophen-2-ylmethylideneamino)oxamide

C13H10FN3O2S — CID 3639139

IUPACN-(2-fluorophenyl)-N'-(thiophen-2-ylmethylideneamino)oxamide
SMILESO=C(NN=Cc1cccs1)C(=O)Nc1ccccc1F
InChIInChI=1S/C13H10FN3O2S/c14-10-5-1-2-6-11(10)16-12(18)13(19)17-15-8-9-4-3-7-20-9/h1-8H,(H,16,18)(H,17,19)
InChIKeyYRLOXQSLAFERES-UHFFFAOYSA-N
MW291.31 g/mol
LogP1.98
Rot. Bonds3

About N-(2-fluorophenyl)-N'-(thiophen-2-ylmethylideneamino)oxamide

N-(2-fluorophenyl)-N'-(thiophen-2-ylmethylideneamino)oxamide (PubChem CID 3639139) has the molecular formula C13H10FN3O2S and a molecular weight of 291.31 g/mol. Its IUPAC name is N-(2-fluorophenyl)-N'-(thiophen-2-ylmethylideneamino)oxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-N'-(thiophen-2-ylmethylideneamino)oxamide
PubChem CID3639139
Molecular FormulaC13H10FN3O2S
Molecular Weight291.31 g/mol
Exact Mass291.05
IUPAC NameN-(2-fluorophenyl)-N'-(thiophen-2-ylmethylideneamino)oxamide
SMILESO=C(NN=Cc1cccs1)C(=O)Nc1ccccc1F
InChIInChI=1S/C13H10FN3O2S/c14-10-5-1-2-6-11(10)16-12(18)13(19)17-15-8-9-4-3-7-20-9/h1-8H,(H,16,18)(H,17,19)
InChIKeyYRLOXQSLAFERES-UHFFFAOYSA-N
XLogP1.98
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 51.98
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-naphthalen-1-yl-N'-[(Z)-thiophen-2-ylmethylideneamino]oxamide
CID 5373375
N,N'-bis(2-fluorophenyl)-2-(thiophen-2-ylmethylidene)propanediamide
CID 4810053
2-fluoro-N-(thiophen-2-ylmethylideneamino)benzamide
CID 5108019
N'-(thiophen-2-ylmethylideneamino)-N-[4-(trifluoromethyl)phenyl]oxamide
CID 4050044
N-(2-fluorophenyl)-N'-[(Z)-(2-methylphenyl)methylideneamino]oxamide
CID 8898803
2-(2-fluorophenoxy)-N-(thiophen-2-ylmethylideneamino)acetamide
CID 3895307
N-[2-[(3-methylphenyl)carbamoyl]phenyl]-N'-[(Z)-thiophen-2-ylmethylideneamino]oxamide
CID 6022812
N-(4-ethylphenyl)-N'-(thiophen-2-ylmethylideneamino)oxamide
CID 3859686
methyl 4-[[2-oxo-2-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]acetyl]amino]benzoate
CID 133240887
N'-(thiophen-2-ylmethylideneamino)-N-[3-(trifluoromethyl)phenyl]oxamide
CID 2244375
N-[(E)-thiophen-2-ylmethylideneamino]carbamate
CID 23220005
N-(2-fluorophenyl)-N'-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide
CID 136715554

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-N'-(thiophen-2-ylmethylideneamino)oxamide?
The IUPAC name of N-(2-fluorophenyl)-N'-(thiophen-2-ylmethylideneamino)oxamide (CID 3639139) is N-(2-fluorophenyl)-N'-(thiophen-2-ylmethylideneamino)oxamide.
What is the SMILES notation for N-(2-fluorophenyl)-N'-(thiophen-2-ylmethylideneamino)oxamide?
The canonical SMILES for N-(2-fluorophenyl)-N'-(thiophen-2-ylmethylideneamino)oxamide is O=C(NN=Cc1cccs1)C(=O)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-N'-(thiophen-2-ylmethylideneamino)oxamide?
The InChIKey is YRLOXQSLAFERES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3O2S/c14-10-5-1-2-6-11(10)16-12(18)13(19)17-15-8-9-4-3-7-20-9/h1-8H,(H,16,18)(H,17,19).
What are the key properties of N-(2-fluorophenyl)-N'-(thiophen-2-ylmethylideneamino)oxamide?
N-(2-fluorophenyl)-N'-(thiophen-2-ylmethylideneamino)oxamide has a molecular weight of 291.31 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-N'-(thiophen-2-ylmethylideneamino)oxamide is sourced from PubChem (CID 3639139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).