3-[[[2-(2,4-difluoroanilino)-2-oxoethylidene]amino]oxymethyl]benzamide

C16H13F2N3O3 — CID 76865752

IUPAC3-[[[2-(2,4-difluoroanilino)-2-oxoethylidene]amino]oxymethyl]benzamide
SMILESNC(=O)c1cccc(CON=CC(=O)Nc2ccc(F)cc2F)c1
InChIInChI=1S/C16H13F2N3O3/c17-12-4-5-14(13(18)7-12)21-15(22)8-20-24-9-10-2-1-3-11(6-10)16(19)23/h1-8H,9H2,(H2,19,23)(H,21,22)
InChIKeyQXTNTZGRRGXHLL-UHFFFAOYSA-N
MW333.29 g/mol
LogP2.20
Rot. Bonds6

About 3-[[[2-(2,4-difluoroanilino)-2-oxoethylidene]amino]oxymethyl]benzamide

3-[[[2-(2,4-difluoroanilino)-2-oxoethylidene]amino]oxymethyl]benzamide (PubChem CID 76865752) has the molecular formula C16H13F2N3O3 and a molecular weight of 333.29 g/mol. Its IUPAC name is 3-[[[2-(2,4-difluoroanilino)-2-oxoethylidene]amino]oxymethyl]benzamide.

Molecular Properties

Compound Name3-[[[2-(2,4-difluoroanilino)-2-oxoethylidene]amino]oxymethyl]benzamide
PubChem CID76865752
Molecular FormulaC16H13F2N3O3
Molecular Weight333.29 g/mol
Exact Mass333.09
IUPAC Name3-[[[2-(2,4-difluoroanilino)-2-oxoethylidene]amino]oxymethyl]benzamide
SMILESNC(=O)c1cccc(CON=CC(=O)Nc2ccc(F)cc2F)c1
InChIInChI=1S/C16H13F2N3O3/c17-12-4-5-14(13(18)7-12)21-15(22)8-20-24-9-10-2-1-3-11(6-10)16(19)23/h1-8H,9H2,(H2,19,23)(H,21,22)
InChIKeyQXTNTZGRRGXHLL-UHFFFAOYSA-N
XLogP2.20
TPSA93.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.29
LogP ≤ 52.20
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

4-[[(E)-[2-(5-fluoro-2-methylanilino)-2-oxoethylidene]amino]oxymethyl]benzamide
CID 75364546
(2E)-2-[(5-bromothiophen-3-yl)methoxyimino]-N-(2,4-difluorophenyl)acetamide
CID 75404376
N-(2,4-difluorophenyl)-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methoxyimino]acetamide
CID 71849855
N-(2,4-difluorophenyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxyimino]acetamide
CID 76865743
2-[(E)-[2-(2,4-difluoroanilino)-2-oxoethylidene]amino]oxy-N-(4-methylphenyl)acetamide
CID 60528918
3-[(4-fluorophenoxy)methyl]benzamide
CID 47027867
(3-carbamoylphenyl)methyl 3-(4-fluorophenyl)prop-2-enoate
CID 76861544
2-[(E)-[2-(2,4-difluoroanilino)-2-oxoethylidene]amino]oxy-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 55871035
N-(2,4-difluorophenyl)-2-oxoacetamide
CID 115165918
2-[(E)-[2-(2,4-difluoroanilino)-2-oxoethylidene]amino]oxy-N-(3-iodophenyl)propanamide
CID 55871164
[(2R)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate
CID 8998637
N-(2,4-difluorophenyl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 43156113

Frequently Asked Questions

What is the IUPAC name of 3-[[[2-(2,4-difluoroanilino)-2-oxoethylidene]amino]oxymethyl]benzamide?
The IUPAC name of 3-[[[2-(2,4-difluoroanilino)-2-oxoethylidene]amino]oxymethyl]benzamide (CID 76865752) is 3-[[[2-(2,4-difluoroanilino)-2-oxoethylidene]amino]oxymethyl]benzamide.
What is the SMILES notation for 3-[[[2-(2,4-difluoroanilino)-2-oxoethylidene]amino]oxymethyl]benzamide?
The canonical SMILES for 3-[[[2-(2,4-difluoroanilino)-2-oxoethylidene]amino]oxymethyl]benzamide is NC(=O)c1cccc(CON=CC(=O)Nc2ccc(F)cc2F)c1.
What is the InChIKey of 3-[[[2-(2,4-difluoroanilino)-2-oxoethylidene]amino]oxymethyl]benzamide?
The InChIKey is QXTNTZGRRGXHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N3O3/c17-12-4-5-14(13(18)7-12)21-15(22)8-20-24-9-10-2-1-3-11(6-10)16(19)23/h1-8H,9H2,(H2,19,23)(H,21,22).
What are the key properties of 3-[[[2-(2,4-difluoroanilino)-2-oxoethylidene]amino]oxymethyl]benzamide?
3-[[[2-(2,4-difluoroanilino)-2-oxoethylidene]amino]oxymethyl]benzamide has a molecular weight of 333.29 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[2-(2,4-difluoroanilino)-2-oxoethylidene]amino]oxymethyl]benzamide is sourced from PubChem (CID 76865752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).