2-[[amino-(3-chlorophenyl)methylidene]amino]oxy-N-(2,6-dimethylphenyl)propanamide

C18H20ClN3O2 — CID 76854416

IUPAC2-[[amino-(3-chlorophenyl)methylidene]amino]oxy-N-(2,6-dimethylphenyl)propanamide
SMILESCc1cccc(C)c1NC(=O)C(C)ON=C(N)c1cccc(Cl)c1
InChIInChI=1S/C18H20ClN3O2/c1-11-6-4-7-12(2)16(11)21-18(23)13(3)24-22-17(20)14-8-5-9-15(19)10-14/h4-10,13H,1-3H3,(H2,20,22)(H,21,23)
InChIKeyGOFILHYBUDSADV-UHFFFAOYSA-N
MW345.83 g/mol
LogP3.62
Rot. Bonds5

About 2-[[amino-(3-chlorophenyl)methylidene]amino]oxy-N-(2,6-dimethylphenyl)propanamide

2-[[amino-(3-chlorophenyl)methylidene]amino]oxy-N-(2,6-dimethylphenyl)propanamide (PubChem CID 76854416) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is 2-[[amino-(3-chlorophenyl)methylidene]amino]oxy-N-(2,6-dimethylphenyl)propanamide.

Molecular Properties

Compound Name2-[[amino-(3-chlorophenyl)methylidene]amino]oxy-N-(2,6-dimethylphenyl)propanamide
PubChem CID76854416
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC Name2-[[amino-(3-chlorophenyl)methylidene]amino]oxy-N-(2,6-dimethylphenyl)propanamide
SMILESCc1cccc(C)c1NC(=O)C(C)ON=C(N)c1cccc(Cl)c1
InChIInChI=1S/C18H20ClN3O2/c1-11-6-4-7-12(2)16(11)21-18(23)13(3)24-22-17(20)14-8-5-9-15(19)10-14/h4-10,13H,1-3H3,(H2,20,22)(H,21,23)
InChIKeyGOFILHYBUDSADV-UHFFFAOYSA-N
XLogP3.62
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 53.62
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-(3-chlorophenyl)methylidene]amino]oxy-N-(2-propan-2-ylphenyl)propanamide
CID 55435620
2-[(Z)-[amino-(3-chlorophenyl)methylidene]amino]oxy-N-(2-methylsulfanylphenyl)propanamide
CID 134042793
2-[(E)-[amino-(3-chlorophenyl)methylidene]amino]oxy-N-(4-methylsulfanylphenyl)propanamide
CID 78841430
(2S)-2-(2,4-dichlorophenoxy)-N-(2,6-dimethylphenyl)propanamide
CID 6922800
2-[(Z)-[amino-[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]amino]oxy-N-(2,4,6-trimethylphenyl)propanamide
CID 55515599
2-[[amino-(4-phenylmethoxyphenyl)methylidene]amino]oxy-N-(2,4,6-trimethylphenyl)propanamide
CID 72691935
N-(2-amino-6-methylphenyl)-3-chlorobenzamide
CID 43152332
(2R)-2-(4-chloro-3-methylphenoxy)-N-(2,6-dimethylphenyl)propanamide
CID 26542487
(2S)-N-(4-acetylphenyl)-2-[[amino(phenyl)methylidene]amino]oxypropanamide
CID 2478819
N-(2,6-dimethylphenyl)-2-methylpropanamide;yttrium
CID 158388394
[(2R)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 2-(5-chloro-2-methoxyphenyl)acetate
CID 8617185
[1-(carbamoylamino)-1-oxopropan-2-yl] 3-chlorobenzoate
CID 46790569

Frequently Asked Questions

What is the IUPAC name of 2-[[amino-(3-chlorophenyl)methylidene]amino]oxy-N-(2,6-dimethylphenyl)propanamide?
The IUPAC name of 2-[[amino-(3-chlorophenyl)methylidene]amino]oxy-N-(2,6-dimethylphenyl)propanamide (CID 76854416) is 2-[[amino-(3-chlorophenyl)methylidene]amino]oxy-N-(2,6-dimethylphenyl)propanamide.
What is the SMILES notation for 2-[[amino-(3-chlorophenyl)methylidene]amino]oxy-N-(2,6-dimethylphenyl)propanamide?
The canonical SMILES for 2-[[amino-(3-chlorophenyl)methylidene]amino]oxy-N-(2,6-dimethylphenyl)propanamide is Cc1cccc(C)c1NC(=O)C(C)ON=C(N)c1cccc(Cl)c1.
What is the InChIKey of 2-[[amino-(3-chlorophenyl)methylidene]amino]oxy-N-(2,6-dimethylphenyl)propanamide?
The InChIKey is GOFILHYBUDSADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c1-11-6-4-7-12(2)16(11)21-18(23)13(3)24-22-17(20)14-8-5-9-15(19)10-14/h4-10,13H,1-3H3,(H2,20,22)(H,21,23).
What are the key properties of 2-[[amino-(3-chlorophenyl)methylidene]amino]oxy-N-(2,6-dimethylphenyl)propanamide?
2-[[amino-(3-chlorophenyl)methylidene]amino]oxy-N-(2,6-dimethylphenyl)propanamide has a molecular weight of 345.83 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino-(3-chlorophenyl)methylidene]amino]oxy-N-(2,6-dimethylphenyl)propanamide is sourced from PubChem (CID 76854416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).