2-[[amino(phenyl)methylidene]amino]oxy-N-(5-chloro-2-methylphenyl)acetamide

C16H16ClN3O2 — CID 4842830

IUPAC2-[[amino(phenyl)methylidene]amino]oxy-N-(5-chloro-2-methylphenyl)acetamide
SMILESCc1ccc(Cl)cc1NC(=O)CON=C(N)c1ccccc1
InChIInChI=1S/C16H16ClN3O2/c1-11-7-8-13(17)9-14(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)
InChIKeyICGJAFOBBVKCQH-UHFFFAOYSA-N
MW317.78 g/mol
LogP2.92
Rot. Bonds5

About 2-[[amino(phenyl)methylidene]amino]oxy-N-(5-chloro-2-methylphenyl)acetamide

2-[[amino(phenyl)methylidene]amino]oxy-N-(5-chloro-2-methylphenyl)acetamide (PubChem CID 4842830) has the molecular formula C16H16ClN3O2 and a molecular weight of 317.78 g/mol. Its IUPAC name is 2-[[amino(phenyl)methylidene]amino]oxy-N-(5-chloro-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[[amino(phenyl)methylidene]amino]oxy-N-(5-chloro-2-methylphenyl)acetamide
PubChem CID4842830
Molecular FormulaC16H16ClN3O2
Molecular Weight317.78 g/mol
Exact Mass317.09
IUPAC Name2-[[amino(phenyl)methylidene]amino]oxy-N-(5-chloro-2-methylphenyl)acetamide
SMILESCc1ccc(Cl)cc1NC(=O)CON=C(N)c1ccccc1
InChIInChI=1S/C16H16ClN3O2/c1-11-7-8-13(17)9-14(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)
InChIKeyICGJAFOBBVKCQH-UHFFFAOYSA-N
XLogP2.92
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.78
LogP ≤ 52.92
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

N-(5-chloro-2-methylphenyl)-2-methoxyacetamide
CID 795634
2-[[amino(phenyl)methylidene]amino]oxy-N-(2-methylphenyl)acetamide
CID 4842829
2-[(E)-(4-chlorophenyl)methylideneamino]oxy-N-methyl-N-phenylacetamide
CID 5817672
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-(7-chloro-2-oxo-1-phenyl-1,2-dihydroquinazolin-4-yl)acetamide
CID 153608708
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
N-(4-chlorophenyl)-2-[(E)-[(E)-4-(4-chlorophenyl)but-3-en-2-ylidene]amino]oxypropanamide
CID 46886689
(5Z)-8-chloro-3-methyl-6-phenyl-1H-4,1,5-benzoxadiazocin-2-one
CID 136468125
N-(5-Chloro-2-methylphenyl)-3-(hydroxyamino)-3-iminopropanamide
CID 16762442
2-[(Z)-[amino(phenyl)methylidene]amino]oxy-N-(5-chloro-2-methylphenyl)acetamide
CID 9569247

Frequently Asked Questions

What is the IUPAC name of 2-[[amino(phenyl)methylidene]amino]oxy-N-(5-chloro-2-methylphenyl)acetamide?
The IUPAC name of 2-[[amino(phenyl)methylidene]amino]oxy-N-(5-chloro-2-methylphenyl)acetamide (CID 4842830) is 2-[[amino(phenyl)methylidene]amino]oxy-N-(5-chloro-2-methylphenyl)acetamide.
What is the SMILES notation for 2-[[amino(phenyl)methylidene]amino]oxy-N-(5-chloro-2-methylphenyl)acetamide?
The canonical SMILES for 2-[[amino(phenyl)methylidene]amino]oxy-N-(5-chloro-2-methylphenyl)acetamide is Cc1ccc(Cl)cc1NC(=O)CON=C(N)c1ccccc1.
What is the InChIKey of 2-[[amino(phenyl)methylidene]amino]oxy-N-(5-chloro-2-methylphenyl)acetamide?
The InChIKey is ICGJAFOBBVKCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O2/c1-11-7-8-13(17)9-14(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-[[amino(phenyl)methylidene]amino]oxy-N-(5-chloro-2-methylphenyl)acetamide?
2-[[amino(phenyl)methylidene]amino]oxy-N-(5-chloro-2-methylphenyl)acetamide has a molecular weight of 317.78 g/mol, XLogP of 2.92, 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-(5-chloro-2-methylphenyl)acetamide is sourced from PubChem (CID 4842830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).