N-(2-fluoro-4-methylphenyl)-2-(thiophen-2-ylmethylideneamino)oxypropanamide

C15H15FN2O2S — CID 75800080

IUPACN-(2-fluoro-4-methylphenyl)-2-(thiophen-2-ylmethylideneamino)oxypropanamide
SMILESCc1ccc(NC(=O)C(C)ON=Cc2cccs2)c(F)c1
InChIInChI=1S/C15H15FN2O2S/c1-10-5-6-14(13(16)8-10)18-15(19)11(2)20-17-9-12-4-3-7-21-12/h3-9,11H,1-2H3,(H,18,19)
InChIKeyOSKBCKUPRJDBHB-UHFFFAOYSA-N
MW306.36 g/mol
LogP3.57
Rot. Bonds5

About N-(2-fluoro-4-methylphenyl)-2-(thiophen-2-ylmethylideneamino)oxypropanamide

N-(2-fluoro-4-methylphenyl)-2-(thiophen-2-ylmethylideneamino)oxypropanamide (PubChem CID 75800080) has the molecular formula C15H15FN2O2S and a molecular weight of 306.36 g/mol. Its IUPAC name is N-(2-fluoro-4-methylphenyl)-2-(thiophen-2-ylmethylideneamino)oxypropanamide.

Molecular Properties

Compound NameN-(2-fluoro-4-methylphenyl)-2-(thiophen-2-ylmethylideneamino)oxypropanamide
PubChem CID75800080
Molecular FormulaC15H15FN2O2S
Molecular Weight306.36 g/mol
Exact Mass306.08
IUPAC NameN-(2-fluoro-4-methylphenyl)-2-(thiophen-2-ylmethylideneamino)oxypropanamide
SMILESCc1ccc(NC(=O)C(C)ON=Cc2cccs2)c(F)c1
InChIInChI=1S/C15H15FN2O2S/c1-10-5-6-14(13(16)8-10)18-15(19)11(2)20-17-9-12-4-3-7-21-12/h3-9,11H,1-2H3,(H,18,19)
InChIKeyOSKBCKUPRJDBHB-UHFFFAOYSA-N
XLogP3.57
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(2S)-1-(2,4-dimethylanilino)-1-oxopropan-2-yl] (E)-3-thiophen-2-ylprop-2-enoate
CID 8957024
(2S)-N-(2,4-dichlorophenyl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxypropanamide
CID 7705437
[(2S)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] (E)-3-(4-methylphenyl)prop-2-enoate
CID 8740445
[2-(2-fluoro-4-methylanilino)-2-oxoethyl] (Z)-2,3-dithiophen-2-ylprop-2-enoate
CID 8819309
N-(2-fluoro-4-methylphenyl)-2-thiomorpholin-4-ylpropanamide
CID 86993661
N-(2,4-difluorophenyl)-2-[(E)-(3-nitrophenyl)methylideneamino]oxypropanamide
CID 16960640
(2R)-N-(2,4-dichlorophenyl)-2-[(Z)-(2-fluorophenyl)methylideneamino]oxypropanamide
CID 7703394
(2S)-N-(2,4-dichlorophenyl)-2-[(Z)-(2-fluorophenyl)methylideneamino]oxypropanamide
CID 7703391
(2R)-N-(2-fluorophenyl)-2-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]oxypropanamide
CID 7919078
(2R)-N-(2,4-dichlorophenyl)-2-[(Z)-(3-fluorophenyl)methylideneamino]oxypropanamide
CID 7704558
2-(3-cyanophenoxy)-N-(2-fluoro-4-methylphenyl)propanamide
CID 75800083
3-amino-N-(2-fluoro-4-methylphenyl)-3-hydroxyimino-2-methylpropanamide
CID 76926221

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-methylphenyl)-2-(thiophen-2-ylmethylideneamino)oxypropanamide?
The IUPAC name of N-(2-fluoro-4-methylphenyl)-2-(thiophen-2-ylmethylideneamino)oxypropanamide (CID 75800080) is N-(2-fluoro-4-methylphenyl)-2-(thiophen-2-ylmethylideneamino)oxypropanamide.
What is the SMILES notation for N-(2-fluoro-4-methylphenyl)-2-(thiophen-2-ylmethylideneamino)oxypropanamide?
The canonical SMILES for N-(2-fluoro-4-methylphenyl)-2-(thiophen-2-ylmethylideneamino)oxypropanamide is Cc1ccc(NC(=O)C(C)ON=Cc2cccs2)c(F)c1.
What is the InChIKey of N-(2-fluoro-4-methylphenyl)-2-(thiophen-2-ylmethylideneamino)oxypropanamide?
The InChIKey is OSKBCKUPRJDBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2S/c1-10-5-6-14(13(16)8-10)18-15(19)11(2)20-17-9-12-4-3-7-21-12/h3-9,11H,1-2H3,(H,18,19).
What are the key properties of N-(2-fluoro-4-methylphenyl)-2-(thiophen-2-ylmethylideneamino)oxypropanamide?
N-(2-fluoro-4-methylphenyl)-2-(thiophen-2-ylmethylideneamino)oxypropanamide has a molecular weight of 306.36 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-methylphenyl)-2-(thiophen-2-ylmethylideneamino)oxypropanamide is sourced from PubChem (CID 75800080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).