4-[[(E)-[2-(5-fluoro-2-methylanilino)-2-oxoethylidene]amino]oxymethyl]benzamide

C17H16FN3O3 — CID 75364546

IUPAC4-[[(E)-[2-(5-fluoro-2-methylanilino)-2-oxoethylidene]amino]oxymethyl]benzamide
SMILESCc1ccc(F)cc1NC(=O)/C=N/OCc1ccc(C(N)=O)cc1
InChIInChI=1S/C17H16FN3O3/c1-11-2-7-14(18)8-15(11)21-16(22)9-20-24-10-12-3-5-13(6-4-12)17(19)23/h2-9H,10H2,1H3,(H2,19,23)(H,21,22)/b20-9+
InChIKeyWPEJMLOOQDJTHT-AWQFTUOYSA-N
MW329.33 g/mol
LogP2.37
Rot. Bonds6

About 4-[[(E)-[2-(5-fluoro-2-methylanilino)-2-oxoethylidene]amino]oxymethyl]benzamide

4-[[(E)-[2-(5-fluoro-2-methylanilino)-2-oxoethylidene]amino]oxymethyl]benzamide (PubChem CID 75364546) has the molecular formula C17H16FN3O3 and a molecular weight of 329.33 g/mol. Its IUPAC name is 4-[[(E)-[2-(5-fluoro-2-methylanilino)-2-oxoethylidene]amino]oxymethyl]benzamide.

Molecular Properties

Compound Name4-[[(E)-[2-(5-fluoro-2-methylanilino)-2-oxoethylidene]amino]oxymethyl]benzamide
PubChem CID75364546
Molecular FormulaC17H16FN3O3
Molecular Weight329.33 g/mol
Exact Mass329.12
IUPAC Name4-[[(E)-[2-(5-fluoro-2-methylanilino)-2-oxoethylidene]amino]oxymethyl]benzamide
SMILESCc1ccc(F)cc1NC(=O)/C=N/OCc1ccc(C(N)=O)cc1
InChIInChI=1S/C17H16FN3O3/c1-11-2-7-14(18)8-15(11)21-16(22)9-20-24-10-12-3-5-13(6-4-12)17(19)23/h2-9H,10H2,1H3,(H2,19,23)(H,21,22)/b20-9+
InChIKeyWPEJMLOOQDJTHT-AWQFTUOYSA-N
XLogP2.37
TPSA93.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 52.37
H-Bond Donors ≤ 52
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

N-(5-fluoro-2-methylphenyl)-4-(methoxymethyl)benzamide
CID 8572955
4-[(4-tert-butylphenoxy)methyl]-N-(5-fluoro-2-methylphenyl)benzamide
CID 7961623
N-(2,4-difluorophenyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxyimino]acetamide
CID 76865743
N-(5-fluoro-2-methylphenyl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 9211912
2-amino-N-(5-fluoro-2-methylphenyl)acetamide
CID 24700155
2-[(4-bromo-2-fluorophenyl)methoxyimino]-N-(2-methylphenyl)acetamide
CID 2108303
N-(2,4-difluorophenyl)-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methoxyimino]acetamide
CID 71849855
(2Z)-2-[(3-bromo-4-methoxyphenyl)methoxyimino]-N-(2,4-dimethylphenyl)acetamide
CID 9353788
2-[(E)-[2-(2,4-difluoroanilino)-2-oxoethylidene]amino]oxy-N-(4-methylphenyl)acetamide
CID 60528918
(2Z)-N-(2,4-dimethylphenyl)-2-[2-(4-fluorophenoxy)ethoxyimino]acetamide
CID 7666059
1-[4-(aminomethyl)phenyl]-3-(5-fluoro-2-methylphenyl)urea
CID 43133007
N-(5-fluoro-2-methylphenyl)-4-(4-methylphenyl)-4-oxobutanamide
CID 20969054

Frequently Asked Questions

What is the IUPAC name of 4-[[(E)-[2-(5-fluoro-2-methylanilino)-2-oxoethylidene]amino]oxymethyl]benzamide?
The IUPAC name of 4-[[(E)-[2-(5-fluoro-2-methylanilino)-2-oxoethylidene]amino]oxymethyl]benzamide (CID 75364546) is 4-[[(E)-[2-(5-fluoro-2-methylanilino)-2-oxoethylidene]amino]oxymethyl]benzamide.
What is the SMILES notation for 4-[[(E)-[2-(5-fluoro-2-methylanilino)-2-oxoethylidene]amino]oxymethyl]benzamide?
The canonical SMILES for 4-[[(E)-[2-(5-fluoro-2-methylanilino)-2-oxoethylidene]amino]oxymethyl]benzamide is Cc1ccc(F)cc1NC(=O)/C=N/OCc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[[(E)-[2-(5-fluoro-2-methylanilino)-2-oxoethylidene]amino]oxymethyl]benzamide?
The InChIKey is WPEJMLOOQDJTHT-AWQFTUOYSA-N. The full InChI is InChI=1S/C17H16FN3O3/c1-11-2-7-14(18)8-15(11)21-16(22)9-20-24-10-12-3-5-13(6-4-12)17(19)23/h2-9H,10H2,1H3,(H2,19,23)(H,21,22)/b20-9+.
What are the key properties of 4-[[(E)-[2-(5-fluoro-2-methylanilino)-2-oxoethylidene]amino]oxymethyl]benzamide?
4-[[(E)-[2-(5-fluoro-2-methylanilino)-2-oxoethylidene]amino]oxymethyl]benzamide has a molecular weight of 329.33 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(E)-[2-(5-fluoro-2-methylanilino)-2-oxoethylidene]amino]oxymethyl]benzamide is sourced from PubChem (CID 75364546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).