3-amino-N-(2-chlorophenyl)-3-(2-phenoxyethoxyimino)propanamide

C17H18ClN3O3 — CID 78766902

IUPAC3-amino-N-(2-chlorophenyl)-3-(2-phenoxyethoxyimino)propanamide
SMILESNC(CC(=O)Nc1ccccc1Cl)=NOCCOc1ccccc1
InChIInChI=1S/C17H18ClN3O3/c18-14-8-4-5-9-15(14)20-17(22)12-16(19)21-24-11-10-23-13-6-2-1-3-7-13/h1-9H,10-12H2,(H2,19,21)(H,20,22)
InChIKeyQARDBKPWAKUFLJ-UHFFFAOYSA-N
MW347.80 g/mol
LogP3.04
Rot. Bonds8

About 3-amino-N-(2-chlorophenyl)-3-(2-phenoxyethoxyimino)propanamide

3-amino-N-(2-chlorophenyl)-3-(2-phenoxyethoxyimino)propanamide (PubChem CID 78766902) has the molecular formula C17H18ClN3O3 and a molecular weight of 347.80 g/mol. Its IUPAC name is 3-amino-N-(2-chlorophenyl)-3-(2-phenoxyethoxyimino)propanamide.

Molecular Properties

Compound Name3-amino-N-(2-chlorophenyl)-3-(2-phenoxyethoxyimino)propanamide
PubChem CID78766902
Molecular FormulaC17H18ClN3O3
Molecular Weight347.80 g/mol
Exact Mass347.10
IUPAC Name3-amino-N-(2-chlorophenyl)-3-(2-phenoxyethoxyimino)propanamide
SMILESNC(CC(=O)Nc1ccccc1Cl)=NOCCOc1ccccc1
InChIInChI=1S/C17H18ClN3O3/c18-14-8-4-5-9-15(14)20-17(22)12-16(19)21-24-11-10-23-13-6-2-1-3-7-13/h1-9H,10-12H2,(H2,19,21)(H,20,22)
InChIKeyQARDBKPWAKUFLJ-UHFFFAOYSA-N
XLogP3.04
TPSA85.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

(3E)-3-amino-N-(2-chlorophenyl)-3-[2-(2,6-dimethylphenoxy)ethoxyimino]propanamide
CID 78766912
(3E)-3-amino-N-(2-chlorophenyl)-3-[(3,5-dimethylphenyl)methoxyimino]propanamide
CID 78834897
3-amino-3-[(2-chloro-6-fluorophenyl)methoxyimino]-N-(2-chlorophenyl)propanamide
CID 78766790
(3E)-3-amino-N-(2-chlorophenyl)-3-[2-oxo-2-(4-propan-2-ylanilino)ethoxy]iminopropanamide
CID 78766800
(3E)-3-amino-N-(2-chlorophenyl)-3-[2-[(4-chlorophenyl)methylamino]-2-oxoethoxy]iminopropanamide
CID 78766801
3-amino-N-(2-chlorophenyl)-3-[2-(4-ethylanilino)-2-oxoethoxy]iminopropanamide
CID 78766823
3-amino-N-(2-chlorophenyl)-3-[(2,5-dimethylphenyl)methoxyimino]propanamide
CID 78766910
3-amino-N-(2-chlorophenyl)-3-[2-(3-fluoroanilino)-2-oxoethoxy]iminopropanamide
CID 78766839
2-(2-chloroanilino)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
CID 54810463
2-(2-chloroanilino)-N-[4-(2-phenoxyethoxy)phenyl]acetamide
CID 54810242
2-amino-N-(2-chlorophenyl)acetamide;hydrochloride
CID 51051964
(3E)-3-amino-N-(2-chlorophenyl)-3-[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl]oxyiminopropanamide
CID 78820528

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-chlorophenyl)-3-(2-phenoxyethoxyimino)propanamide?
The IUPAC name of 3-amino-N-(2-chlorophenyl)-3-(2-phenoxyethoxyimino)propanamide (CID 78766902) is 3-amino-N-(2-chlorophenyl)-3-(2-phenoxyethoxyimino)propanamide.
What is the SMILES notation for 3-amino-N-(2-chlorophenyl)-3-(2-phenoxyethoxyimino)propanamide?
The canonical SMILES for 3-amino-N-(2-chlorophenyl)-3-(2-phenoxyethoxyimino)propanamide is NC(CC(=O)Nc1ccccc1Cl)=NOCCOc1ccccc1.
What is the InChIKey of 3-amino-N-(2-chlorophenyl)-3-(2-phenoxyethoxyimino)propanamide?
The InChIKey is QARDBKPWAKUFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O3/c18-14-8-4-5-9-15(14)20-17(22)12-16(19)21-24-11-10-23-13-6-2-1-3-7-13/h1-9H,10-12H2,(H2,19,21)(H,20,22).
What are the key properties of 3-amino-N-(2-chlorophenyl)-3-(2-phenoxyethoxyimino)propanamide?
3-amino-N-(2-chlorophenyl)-3-(2-phenoxyethoxyimino)propanamide has a molecular weight of 347.80 g/mol, XLogP of 3.04, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-chlorophenyl)-3-(2-phenoxyethoxyimino)propanamide is sourced from PubChem (CID 78766902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).