2-[[amino-[4-(dimethylamino)phenyl]methylidene]amino]oxy-N-(2-chlorophenyl)acetamide

C17H19ClN4O2 — CID 103598223

IUPAC2-[[amino-[4-(dimethylamino)phenyl]methylidene]amino]oxy-N-(2-chlorophenyl)acetamide
SMILESCN(C)c1ccc(C(N)=NOCC(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C17H19ClN4O2/c1-22(2)13-9-7-12(8-10-13)17(19)21-24-11-16(23)20-15-6-4-3-5-14(15)18/h3-10H,11H2,1-2H3,(H2,19,21)(H,20,23)
InChIKeyZPHJSTNAIOMKET-UHFFFAOYSA-N
MW346.82 g/mol
LogP2.68
Rot. Bonds6

About 2-[[amino-[4-(dimethylamino)phenyl]methylidene]amino]oxy-N-(2-chlorophenyl)acetamide

2-[[amino-[4-(dimethylamino)phenyl]methylidene]amino]oxy-N-(2-chlorophenyl)acetamide (PubChem CID 103598223) has the molecular formula C17H19ClN4O2 and a molecular weight of 346.82 g/mol. Its IUPAC name is 2-[[amino-[4-(dimethylamino)phenyl]methylidene]amino]oxy-N-(2-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[[amino-[4-(dimethylamino)phenyl]methylidene]amino]oxy-N-(2-chlorophenyl)acetamide
PubChem CID103598223
Molecular FormulaC17H19ClN4O2
Molecular Weight346.82 g/mol
Exact Mass346.12
IUPAC Name2-[[amino-[4-(dimethylamino)phenyl]methylidene]amino]oxy-N-(2-chlorophenyl)acetamide
SMILESCN(C)c1ccc(C(N)=NOCC(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C17H19ClN4O2/c1-22(2)13-9-7-12(8-10-13)17(19)21-24-11-16(23)20-15-6-4-3-5-14(15)18/h3-10H,11H2,1-2H3,(H2,19,21)(H,20,23)
InChIKeyZPHJSTNAIOMKET-UHFFFAOYSA-N
XLogP2.68
TPSA79.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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(thiophen-2-yl)methylidene]amino]oxy-N-(2-chlorophenyl)acetamide
CID 103597657
2-[(E)-[amino(phenyl)methylidene]amino]oxy-N-(2-chloro-4-fluorophenyl)acetamide
CID 7613239
[2-(2,3-dichloroanilino)-2-oxoethyl] 4-(dimethylamino)benzoate
CID 7939503
(3E)-3-amino-N-(2-chlorophenyl)-3-[2-oxo-2-(4-propan-2-ylanilino)ethoxy]iminopropanamide
CID 78766800
2-[N-acetyl-4-(dimethylamino)anilino]-N-(2-chlorophenyl)acetamide
CID 113176752
3-amino-N-(2-chlorophenyl)-3-[2-(4-ethylanilino)-2-oxoethoxy]iminopropanamide
CID 78766823
2-[(E)-[amino(phenyl)methylidene]amino]oxy-N-(3,5-dimethylphenyl)acetamide
CID 7613256
[2-(2-bromoanilino)-2-oxoethyl] 4-(dimethylamino)benzoate
CID 2519508
2-[(Z)-[amino(phenyl)methylidene]amino]oxy-N-(2-fluoro-4-methylphenyl)acetamide
CID 24605187
2-(4-carbamothioylphenoxy)-N-(2-chlorophenyl)acetamide
CID 28547111
2-[(Z)-[amino-(4-chlorophenyl)methylidene]amino]oxy-N-(4-ethylphenyl)acetamide
CID 18292830
N-(2-chlorophenyl)-3-[4-(dimethylamino)-N-methylsulfonylanilino]propanamide
CID 113145747

Frequently Asked Questions

What is the IUPAC name of 2-[[amino-[4-(dimethylamino)phenyl]methylidene]amino]oxy-N-(2-chlorophenyl)acetamide?
The IUPAC name of 2-[[amino-[4-(dimethylamino)phenyl]methylidene]amino]oxy-N-(2-chlorophenyl)acetamide (CID 103598223) is 2-[[amino-[4-(dimethylamino)phenyl]methylidene]amino]oxy-N-(2-chlorophenyl)acetamide.
What is the SMILES notation for 2-[[amino-[4-(dimethylamino)phenyl]methylidene]amino]oxy-N-(2-chlorophenyl)acetamide?
The canonical SMILES for 2-[[amino-[4-(dimethylamino)phenyl]methylidene]amino]oxy-N-(2-chlorophenyl)acetamide is CN(C)c1ccc(C(N)=NOCC(=O)Nc2ccccc2Cl)cc1.
What is the InChIKey of 2-[[amino-[4-(dimethylamino)phenyl]methylidene]amino]oxy-N-(2-chlorophenyl)acetamide?
The InChIKey is ZPHJSTNAIOMKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O2/c1-22(2)13-9-7-12(8-10-13)17(19)21-24-11-16(23)20-15-6-4-3-5-14(15)18/h3-10H,11H2,1-2H3,(H2,19,21)(H,20,23).
What are the key properties of 2-[[amino-[4-(dimethylamino)phenyl]methylidene]amino]oxy-N-(2-chlorophenyl)acetamide?
2-[[amino-[4-(dimethylamino)phenyl]methylidene]amino]oxy-N-(2-chlorophenyl)acetamide has a molecular weight of 346.82 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino-[4-(dimethylamino)phenyl]methylidene]amino]oxy-N-(2-chlorophenyl)acetamide is sourced from PubChem (CID 103598223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).