2-[(Z)-[amino-(4-chlorophenyl)methylidene]amino]oxy-N-[1-(1-benzofuran-2-yl)ethyl]acetamide

C19H18ClN3O3 — CID 18268262

IUPAC2-[(Z)-[amino-(4-chlorophenyl)methylidene]amino]oxy-N-[1-(1-benzofuran-2-yl)ethyl]acetamide
SMILESCC(NC(=O)CO/N=C(\N)c1ccc(Cl)cc1)c1cc2ccccc2o1
InChIInChI=1S/C19H18ClN3O3/c1-12(17-10-14-4-2-3-5-16(14)26-17)22-18(24)11-25-23-19(21)13-6-8-15(20)9-7-13/h2-10,12H,11H2,1H3,(H2,21,23)(H,22,24)
InChIKeyWIUCYBLWJYFSRB-UHFFFAOYSA-N
MW371.82 g/mol
LogP3.60
Rot. Bonds6

About 2-[(Z)-[amino-(4-chlorophenyl)methylidene]amino]oxy-N-[1-(1-benzofuran-2-yl)ethyl]acetamide

2-[(Z)-[amino-(4-chlorophenyl)methylidene]amino]oxy-N-[1-(1-benzofuran-2-yl)ethyl]acetamide (PubChem CID 18268262) has the molecular formula C19H18ClN3O3 and a molecular weight of 371.82 g/mol. Its IUPAC name is 2-[(Z)-[amino-(4-chlorophenyl)methylidene]amino]oxy-N-[1-(1-benzofuran-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(Z)-[amino-(4-chlorophenyl)methylidene]amino]oxy-N-[1-(1-benzofuran-2-yl)ethyl]acetamide
PubChem CID18268262
Molecular FormulaC19H18ClN3O3
Molecular Weight371.82 g/mol
Exact Mass371.10
IUPAC Name2-[(Z)-[amino-(4-chlorophenyl)methylidene]amino]oxy-N-[1-(1-benzofuran-2-yl)ethyl]acetamide
SMILESCC(NC(=O)CO/N=C(\N)c1ccc(Cl)cc1)c1cc2ccccc2o1
InChIInChI=1S/C19H18ClN3O3/c1-12(17-10-14-4-2-3-5-16(14)26-17)22-18(24)11-25-23-19(21)13-6-8-15(20)9-7-13/h2-10,12H,11H2,1H3,(H2,21,23)(H,22,24)
InChIKeyWIUCYBLWJYFSRB-UHFFFAOYSA-N
XLogP3.60
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 53.60
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-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl] (2S)-2-(4-chlorophenoxy)propanoate
CID 9492350
[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl] 3-chlorobenzoate
CID 9014368
4-[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethoxy]benzamide
CID 8566320
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(2,5-dichlorophenoxy)acetamide
CID 8578495
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(2,4-dichlorophenoxy)acetamide
CID 9365848
[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl] 4-chloro-2-fluorobenzoate
CID 8664503
[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate
CID 9286406
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(3-chlorophenoxy)acetamide
CID 9013193
[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate
CID 9231041
2-[1-(1-benzofuran-2-yl)ethylamino]-N-[1-(4-chlorophenyl)ethyl]acetamide
CID 112801530
[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl] 3-methylbenzoate
CID 9290575
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-(4-chlorophenyl)sulfonylpropanamide
CID 9366357

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-[amino-(4-chlorophenyl)methylidene]amino]oxy-N-[1-(1-benzofuran-2-yl)ethyl]acetamide?
The IUPAC name of 2-[(Z)-[amino-(4-chlorophenyl)methylidene]amino]oxy-N-[1-(1-benzofuran-2-yl)ethyl]acetamide (CID 18268262) is 2-[(Z)-[amino-(4-chlorophenyl)methylidene]amino]oxy-N-[1-(1-benzofuran-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-[(Z)-[amino-(4-chlorophenyl)methylidene]amino]oxy-N-[1-(1-benzofuran-2-yl)ethyl]acetamide?
The canonical SMILES for 2-[(Z)-[amino-(4-chlorophenyl)methylidene]amino]oxy-N-[1-(1-benzofuran-2-yl)ethyl]acetamide is CC(NC(=O)CO/N=C(\N)c1ccc(Cl)cc1)c1cc2ccccc2o1.
What is the InChIKey of 2-[(Z)-[amino-(4-chlorophenyl)methylidene]amino]oxy-N-[1-(1-benzofuran-2-yl)ethyl]acetamide?
The InChIKey is WIUCYBLWJYFSRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O3/c1-12(17-10-14-4-2-3-5-16(14)26-17)22-18(24)11-25-23-19(21)13-6-8-15(20)9-7-13/h2-10,12H,11H2,1H3,(H2,21,23)(H,22,24).
What are the key properties of 2-[(Z)-[amino-(4-chlorophenyl)methylidene]amino]oxy-N-[1-(1-benzofuran-2-yl)ethyl]acetamide?
2-[(Z)-[amino-(4-chlorophenyl)methylidene]amino]oxy-N-[1-(1-benzofuran-2-yl)ethyl]acetamide has a molecular weight of 371.82 g/mol, XLogP of 3.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-[amino-(4-chlorophenyl)methylidene]amino]oxy-N-[1-(1-benzofuran-2-yl)ethyl]acetamide is sourced from PubChem (CID 18268262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).