2-[[amino(phenyl)methylidene]amino]oxy-N-(3-chloro-4-fluorophenyl)acetamide

C15H13ClFN3O2 — CID 2415260

IUPAC2-[[amino(phenyl)methylidene]amino]oxy-N-(3-chloro-4-fluorophenyl)acetamide
SMILESNC(=NOCC(=O)Nc1ccc(F)c(Cl)c1)c1ccccc1
InChIInChI=1S/C15H13ClFN3O2/c16-12-8-11(6-7-13(12)17)19-14(21)9-22-20-15(18)10-4-2-1-3-5-10/h1-8H,9H2,(H2,18,20)(H,19,21)
InChIKeyNWUTUMWXCWKRGD-UHFFFAOYSA-N
MW321.74 g/mol
LogP2.75
Rot. Bonds5

About 2-[[amino(phenyl)methylidene]amino]oxy-N-(3-chloro-4-fluorophenyl)acetamide

2-[[amino(phenyl)methylidene]amino]oxy-N-(3-chloro-4-fluorophenyl)acetamide (PubChem CID 2415260) has the molecular formula C15H13ClFN3O2 and a molecular weight of 321.74 g/mol. Its IUPAC name is 2-[[amino(phenyl)methylidene]amino]oxy-N-(3-chloro-4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[amino(phenyl)methylidene]amino]oxy-N-(3-chloro-4-fluorophenyl)acetamide
PubChem CID2415260
Molecular FormulaC15H13ClFN3O2
Molecular Weight321.74 g/mol
Exact Mass321.07
IUPAC Name2-[[amino(phenyl)methylidene]amino]oxy-N-(3-chloro-4-fluorophenyl)acetamide
SMILESNC(=NOCC(=O)Nc1ccc(F)c(Cl)c1)c1ccccc1
InChIInChI=1S/C15H13ClFN3O2/c16-12-8-11(6-7-13(12)17)19-14(21)9-22-20-15(18)10-4-2-1-3-5-10/h1-8H,9H2,(H2,18,20)(H,19,21)
InChIKeyNWUTUMWXCWKRGD-UHFFFAOYSA-N
XLogP2.75
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.74
LogP ≤ 52.75
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-[[amino(phenyl)methylidene]amino]oxy-N-(2-methylphenyl)acetamide
CID 4842829
2-[[amino(phenyl)methylidene]amino]oxy-N-(5-chloro-2-methylphenyl)acetamide
CID 4842830
2-[(Z)-[amino(phenyl)methylidene]amino]oxy-N-(3-chloro-4-fluorophenyl)acetamide
CID 9661023
2-[(Z)-[amino-(2-chlorophenyl)methylidene]amino]oxy-N-ethyl-N-phenylacetamide
CID 9660941
N-(4-chlorophenyl)-2-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]oxyacetamide
CID 46192032
2-[(E)-[(E)-4-(4-chlorophenyl)but-3-en-2-ylidene]amino]oxy-N-phenylpropanamide
CID 46886688
2-[(Z)-[amino(phenyl)methylidene]amino]oxy-N-(5-chloro-2-methylphenyl)acetamide
CID 9569247
N-(2-chlorophenyl)-2-{[(3-fluorobenzylidene)amino]oxy}acetamide
CID 6895909
[[amino-(2,4-difluorophenyl)methylidene]amino] N-(4-chlorophenyl)carbamate
CID 2823842
[(Z)-[amino-(2,4-difluorophenyl)methylidene]amino] N-(4-chlorophenyl)carbamate
CID 9584567
1-(3-chloro-4-fluorophenyl)-3-[4-(N'-hydroxycarbamimidoyl)phenyl]urea
CID 142695388
2-[(4-chlorophenyl)methylideneamino]oxy-N-(4-fluorophenyl)acetamide
CID 2083850

Frequently Asked Questions

What is the IUPAC name of 2-[[amino(phenyl)methylidene]amino]oxy-N-(3-chloro-4-fluorophenyl)acetamide?
The IUPAC name of 2-[[amino(phenyl)methylidene]amino]oxy-N-(3-chloro-4-fluorophenyl)acetamide (CID 2415260) is 2-[[amino(phenyl)methylidene]amino]oxy-N-(3-chloro-4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[[amino(phenyl)methylidene]amino]oxy-N-(3-chloro-4-fluorophenyl)acetamide?
The canonical SMILES for 2-[[amino(phenyl)methylidene]amino]oxy-N-(3-chloro-4-fluorophenyl)acetamide is NC(=NOCC(=O)Nc1ccc(F)c(Cl)c1)c1ccccc1.
What is the InChIKey of 2-[[amino(phenyl)methylidene]amino]oxy-N-(3-chloro-4-fluorophenyl)acetamide?
The InChIKey is NWUTUMWXCWKRGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFN3O2/c16-12-8-11(6-7-13(12)17)19-14(21)9-22-20-15(18)10-4-2-1-3-5-10/h1-8H,9H2,(H2,18,20)(H,19,21).
What are the key properties of 2-[[amino(phenyl)methylidene]amino]oxy-N-(3-chloro-4-fluorophenyl)acetamide?
2-[[amino(phenyl)methylidene]amino]oxy-N-(3-chloro-4-fluorophenyl)acetamide has a molecular weight of 321.74 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino(phenyl)methylidene]amino]oxy-N-(3-chloro-4-fluorophenyl)acetamide is sourced from PubChem (CID 2415260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).