2-[(E)-[amino-(3-chlorophenyl)methylidene]amino]oxy-N-(2-propan-2-ylphenyl)propanamide

C19H22ClN3O2 — CID 55435620

IUPAC2-[(E)-[amino-(3-chlorophenyl)methylidene]amino]oxy-N-(2-propan-2-ylphenyl)propanamide
SMILESCC(O/N=C(/N)c1cccc(Cl)c1)C(=O)Nc1ccccc1C(C)C
InChIInChI=1S/C19H22ClN3O2/c1-12(2)16-9-4-5-10-17(16)22-19(24)13(3)25-23-18(21)14-7-6-8-15(20)11-14/h4-13H,1-3H3,(H2,21,23)(H,22,24)
InChIKeyOTIKMQLRJDGYJI-UHFFFAOYSA-N
MW359.86 g/mol
LogP4.13
Rot. Bonds6

About 2-[(E)-[amino-(3-chlorophenyl)methylidene]amino]oxy-N-(2-propan-2-ylphenyl)propanamide

2-[(E)-[amino-(3-chlorophenyl)methylidene]amino]oxy-N-(2-propan-2-ylphenyl)propanamide (PubChem CID 55435620) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is 2-[(E)-[amino-(3-chlorophenyl)methylidene]amino]oxy-N-(2-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name2-[(E)-[amino-(3-chlorophenyl)methylidene]amino]oxy-N-(2-propan-2-ylphenyl)propanamide
PubChem CID55435620
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC Name2-[(E)-[amino-(3-chlorophenyl)methylidene]amino]oxy-N-(2-propan-2-ylphenyl)propanamide
SMILESCC(O/N=C(/N)c1cccc(Cl)c1)C(=O)Nc1ccccc1C(C)C
InChIInChI=1S/C19H22ClN3O2/c1-12(2)16-9-4-5-10-17(16)22-19(24)13(3)25-23-18(21)14-7-6-8-15(20)11-14/h4-13H,1-3H3,(H2,21,23)(H,22,24)
InChIKeyOTIKMQLRJDGYJI-UHFFFAOYSA-N
XLogP4.13
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 54.13
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-[(Z)-[amino-(3-chlorophenyl)methylidene]amino]oxy-N-(2-methylsulfanylphenyl)propanamide
CID 134042793
2-[[amino-(3-chlorophenyl)methylidene]amino]oxy-N-(2,6-dimethylphenyl)propanamide
CID 76854416
2-[(E)-[amino-(3-chlorophenyl)methylidene]amino]oxy-N-(4-methylsulfanylphenyl)propanamide
CID 78841430
3-chloro-N-(2-propan-2-ylphenyl)benzamide
CID 681881
2-methoxy-N-(2-propan-2-ylphenyl)propanamide
CID 86811936
2-[[amino-(2-phenoxy-3-pyridinyl)methylidene]amino]oxy-N-(2-propan-2-ylphenyl)propanamide
CID 72691908
(2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-(3-chlorophenoxy)propanamide
CID 9497371
2-(3-chlorophenoxy)-N-(2-cyanophenyl)propanamide
CID 2943952
(2S)-2-(3-chlorophenoxy)-N-(2-cyanophenyl)propanamide
CID 894651
(2S)-2-(3-chlorophenoxy)-N-(2-chlorophenyl)propanamide
CID 966242
(2S)-N-(4-acetylphenyl)-2-[[amino(phenyl)methylidene]amino]oxypropanamide
CID 2478819
(2R)-2-(3-chlorophenoxy)-N-(2-fluorophenyl)propanamide
CID 848384

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[amino-(3-chlorophenyl)methylidene]amino]oxy-N-(2-propan-2-ylphenyl)propanamide?
The IUPAC name of 2-[(E)-[amino-(3-chlorophenyl)methylidene]amino]oxy-N-(2-propan-2-ylphenyl)propanamide (CID 55435620) is 2-[(E)-[amino-(3-chlorophenyl)methylidene]amino]oxy-N-(2-propan-2-ylphenyl)propanamide.
What is the SMILES notation for 2-[(E)-[amino-(3-chlorophenyl)methylidene]amino]oxy-N-(2-propan-2-ylphenyl)propanamide?
The canonical SMILES for 2-[(E)-[amino-(3-chlorophenyl)methylidene]amino]oxy-N-(2-propan-2-ylphenyl)propanamide is CC(O/N=C(/N)c1cccc(Cl)c1)C(=O)Nc1ccccc1C(C)C.
What is the InChIKey of 2-[(E)-[amino-(3-chlorophenyl)methylidene]amino]oxy-N-(2-propan-2-ylphenyl)propanamide?
The InChIKey is OTIKMQLRJDGYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2/c1-12(2)16-9-4-5-10-17(16)22-19(24)13(3)25-23-18(21)14-7-6-8-15(20)11-14/h4-13H,1-3H3,(H2,21,23)(H,22,24).
What are the key properties of 2-[(E)-[amino-(3-chlorophenyl)methylidene]amino]oxy-N-(2-propan-2-ylphenyl)propanamide?
2-[(E)-[amino-(3-chlorophenyl)methylidene]amino]oxy-N-(2-propan-2-ylphenyl)propanamide has a molecular weight of 359.86 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[amino-(3-chlorophenyl)methylidene]amino]oxy-N-(2-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 55435620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).