2-[(Z)-[amino(phenyl)methylidene]amino]oxy-N-(2-fluoro-4-methylphenyl)acetamide

C16H16FN3O2 — CID 24605187

IUPAC2-[(Z)-[amino(phenyl)methylidene]amino]oxy-N-(2-fluoro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CO/N=C(\N)c2ccccc2)c(F)c1
InChIInChI=1S/C16H16FN3O2/c1-11-7-8-14(13(17)9-11)19-15(21)10-22-20-16(18)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H2,18,20)(H,19,21)
InChIKeyPLZKYKYDLVILPT-UHFFFAOYSA-N
MW301.32 g/mol
LogP2.41
Rot. Bonds5

About 2-[(Z)-[amino(phenyl)methylidene]amino]oxy-N-(2-fluoro-4-methylphenyl)acetamide

2-[(Z)-[amino(phenyl)methylidene]amino]oxy-N-(2-fluoro-4-methylphenyl)acetamide (PubChem CID 24605187) has the molecular formula C16H16FN3O2 and a molecular weight of 301.32 g/mol. Its IUPAC name is 2-[(Z)-[amino(phenyl)methylidene]amino]oxy-N-(2-fluoro-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(Z)-[amino(phenyl)methylidene]amino]oxy-N-(2-fluoro-4-methylphenyl)acetamide
PubChem CID24605187
Molecular FormulaC16H16FN3O2
Molecular Weight301.32 g/mol
Exact Mass301.12
IUPAC Name2-[(Z)-[amino(phenyl)methylidene]amino]oxy-N-(2-fluoro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CO/N=C(\N)c2ccccc2)c(F)c1
InChIInChI=1S/C16H16FN3O2/c1-11-7-8-14(13(17)9-11)19-15(21)10-22-20-16(18)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H2,18,20)(H,19,21)
InChIKeyPLZKYKYDLVILPT-UHFFFAOYSA-N
XLogP2.41
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(E)-[amino(phenyl)methylidene]amino]oxy-N-(3,5-dimethylphenyl)acetamide
CID 7613256
2-[(E)-[amino(phenyl)methylidene]amino]oxy-N-(2-chloro-4-fluorophenyl)acetamide
CID 7613239
N-(2-fluoro-4-methylphenyl)-2-(2-fluorophenoxy)acetamide
CID 7815061
2-[(E)-[amino-(3-fluoro-4-methylphenyl)methylidene]amino]oxy-N-(2-methoxyphenyl)acetamide
CID 87021676
2-(2-aminoethoxy)-N-(2-fluoro-4-methylphenyl)acetamide
CID 79463499
3-amino-N-(2-fluoro-4-methylphenyl)-3-phenylpropanamide
CID 43114261
[2-(2-fluoro-4-methylanilino)-2-oxoethyl] 3-methoxybenzoate
CID 7985943
2-(2-ethoxyphenoxy)-N-(2-fluoro-4-methylphenyl)acetamide
CID 8893933
[2-(2-fluoro-4-methylanilino)-2-oxoethyl] 4-aminobenzoate
CID 7781013
[2-(2-fluoro-4-methylanilino)-2-oxoethyl] 2-bromobenzoate
CID 7775273
2-[2-(2-fluoro-4-methylanilino)-2-oxoethoxy]-4-methylbenzamide
CID 24585355
2-[[amino-[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]amino]oxy-N-(2-methoxy-5-methylphenyl)acetamide
CID 75134683

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-[amino(phenyl)methylidene]amino]oxy-N-(2-fluoro-4-methylphenyl)acetamide?
The IUPAC name of 2-[(Z)-[amino(phenyl)methylidene]amino]oxy-N-(2-fluoro-4-methylphenyl)acetamide (CID 24605187) is 2-[(Z)-[amino(phenyl)methylidene]amino]oxy-N-(2-fluoro-4-methylphenyl)acetamide.
What is the SMILES notation for 2-[(Z)-[amino(phenyl)methylidene]amino]oxy-N-(2-fluoro-4-methylphenyl)acetamide?
The canonical SMILES for 2-[(Z)-[amino(phenyl)methylidene]amino]oxy-N-(2-fluoro-4-methylphenyl)acetamide is Cc1ccc(NC(=O)CO/N=C(\N)c2ccccc2)c(F)c1.
What is the InChIKey of 2-[(Z)-[amino(phenyl)methylidene]amino]oxy-N-(2-fluoro-4-methylphenyl)acetamide?
The InChIKey is PLZKYKYDLVILPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O2/c1-11-7-8-14(13(17)9-11)19-15(21)10-22-20-16(18)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H2,18,20)(H,19,21).
What are the key properties of 2-[(Z)-[amino(phenyl)methylidene]amino]oxy-N-(2-fluoro-4-methylphenyl)acetamide?
2-[(Z)-[amino(phenyl)methylidene]amino]oxy-N-(2-fluoro-4-methylphenyl)acetamide has a molecular weight of 301.32 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-[amino(phenyl)methylidene]amino]oxy-N-(2-fluoro-4-methylphenyl)acetamide is sourced from PubChem (CID 24605187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).