3-amino-3-[(2-chloro-6-fluorophenyl)methoxyimino]-N-(2-chlorophenyl)propanamide

C16H14Cl2FN3O2 — CID 78766790

IUPAC3-amino-3-[(2-chloro-6-fluorophenyl)methoxyimino]-N-(2-chlorophenyl)propanamide
SMILESNC(CC(=O)Nc1ccccc1Cl)=NOCc1c(F)cccc1Cl
InChIInChI=1S/C16H14Cl2FN3O2/c17-11-5-3-6-13(19)10(11)9-24-22-15(20)8-16(23)21-14-7-2-1-4-12(14)18/h1-7H,8-9H2,(H2,20,22)(H,21,23)
InChIKeySCVYCCRNTILUIJ-UHFFFAOYSA-N
MW370.21 g/mol
LogP3.95
Rot. Bonds6

About 3-amino-3-[(2-chloro-6-fluorophenyl)methoxyimino]-N-(2-chlorophenyl)propanamide

3-amino-3-[(2-chloro-6-fluorophenyl)methoxyimino]-N-(2-chlorophenyl)propanamide (PubChem CID 78766790) has the molecular formula C16H14Cl2FN3O2 and a molecular weight of 370.21 g/mol. Its IUPAC name is 3-amino-3-[(2-chloro-6-fluorophenyl)methoxyimino]-N-(2-chlorophenyl)propanamide.

Molecular Properties

Compound Name3-amino-3-[(2-chloro-6-fluorophenyl)methoxyimino]-N-(2-chlorophenyl)propanamide
PubChem CID78766790
Molecular FormulaC16H14Cl2FN3O2
Molecular Weight370.21 g/mol
Exact Mass369.04
IUPAC Name3-amino-3-[(2-chloro-6-fluorophenyl)methoxyimino]-N-(2-chlorophenyl)propanamide
SMILESNC(CC(=O)Nc1ccccc1Cl)=NOCc1c(F)cccc1Cl
InChIInChI=1S/C16H14Cl2FN3O2/c17-11-5-3-6-13(19)10(11)9-24-22-15(20)8-16(23)21-14-7-2-1-4-12(14)18/h1-7H,8-9H2,(H2,20,22)(H,21,23)
InChIKeySCVYCCRNTILUIJ-UHFFFAOYSA-N
XLogP3.95
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.21
LogP ≤ 53.95
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

(3E)-3-amino-N-(2-chlorophenyl)-3-[(3,5-dimethylphenyl)methoxyimino]propanamide
CID 78834897
3-amino-N-(2-chlorophenyl)-3-[2-(3-fluoroanilino)-2-oxoethoxy]iminopropanamide
CID 78766839
3-amino-N-(2-chlorophenyl)-3-[(2,5-dimethylphenyl)methoxyimino]propanamide
CID 78766910
3-amino-N-(2-chlorophenyl)-3-(2-phenoxyethoxyimino)propanamide
CID 78766902
(3E)-3-amino-N-(2-chlorophenyl)-3-[2-(2,6-dimethylphenoxy)ethoxyimino]propanamide
CID 78766912
(3E)-3-amino-N-(2-chlorophenyl)-3-[2-[(4-chlorophenyl)methylamino]-2-oxoethoxy]iminopropanamide
CID 78766801
N-(2-chlorophenyl)-N'-(2,6-difluorophenyl)propanediamide
CID 108954936
(3E)-3-amino-N-(2-chlorophenyl)-3-[2-oxo-2-(4-propan-2-ylanilino)ethoxy]iminopropanamide
CID 78766800
3-amino-N-(2-chlorophenyl)-3-[2-(4-ethylanilino)-2-oxoethoxy]iminopropanamide
CID 78766823
[2-(2-chloroanilino)-2-oxoethyl] 2,6-difluorobenzoate
CID 3638109
[2-(2-chloroanilino)-2-oxoethyl]-[(2-chloro-6-fluorophenyl)methyl]-methylazanium
CID 2714090
3-amino-N-(2-fluorophenyl)-3-hydroxyiminopropanamide
CID 53397139

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-[(2-chloro-6-fluorophenyl)methoxyimino]-N-(2-chlorophenyl)propanamide?
The IUPAC name of 3-amino-3-[(2-chloro-6-fluorophenyl)methoxyimino]-N-(2-chlorophenyl)propanamide (CID 78766790) is 3-amino-3-[(2-chloro-6-fluorophenyl)methoxyimino]-N-(2-chlorophenyl)propanamide.
What is the SMILES notation for 3-amino-3-[(2-chloro-6-fluorophenyl)methoxyimino]-N-(2-chlorophenyl)propanamide?
The canonical SMILES for 3-amino-3-[(2-chloro-6-fluorophenyl)methoxyimino]-N-(2-chlorophenyl)propanamide is NC(CC(=O)Nc1ccccc1Cl)=NOCc1c(F)cccc1Cl.
What is the InChIKey of 3-amino-3-[(2-chloro-6-fluorophenyl)methoxyimino]-N-(2-chlorophenyl)propanamide?
The InChIKey is SCVYCCRNTILUIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2FN3O2/c17-11-5-3-6-13(19)10(11)9-24-22-15(20)8-16(23)21-14-7-2-1-4-12(14)18/h1-7H,8-9H2,(H2,20,22)(H,21,23).
What are the key properties of 3-amino-3-[(2-chloro-6-fluorophenyl)methoxyimino]-N-(2-chlorophenyl)propanamide?
3-amino-3-[(2-chloro-6-fluorophenyl)methoxyimino]-N-(2-chlorophenyl)propanamide has a molecular weight of 370.21 g/mol, XLogP of 3.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-[(2-chloro-6-fluorophenyl)methoxyimino]-N-(2-chlorophenyl)propanamide is sourced from PubChem (CID 78766790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).