(2R)-N-[(Z)-1-(3-iodophenyl)ethylideneamino]-2-methoxy-2-phenylacetamide

C17H17IN2O2 — CID 7330111

IUPAC(2R)-N-[(Z)-1-(3-iodophenyl)ethylideneamino]-2-methoxy-2-phenylacetamide
SMILESCO[C@@H](C(=O)N/N=C(/C)c1cccc(I)c1)c1ccccc1
InChIInChI=1S/C17H17IN2O2/c1-12(14-9-6-10-15(18)11-14)19-20-17(21)16(22-2)13-7-4-3-5-8-13/h3-11,16H,1-2H3,(H,20,21)/b19-12-/t16-/m1/s1
InChIKeyLJZJSNMZQAFTCK-BKAYVGFPSA-N
MW408.24 g/mol
LogP3.52
Rot. Bonds5

About (2R)-N-[(Z)-1-(3-iodophenyl)ethylideneamino]-2-methoxy-2-phenylacetamide

(2R)-N-[(Z)-1-(3-iodophenyl)ethylideneamino]-2-methoxy-2-phenylacetamide (PubChem CID 7330111) has the molecular formula C17H17IN2O2 and a molecular weight of 408.24 g/mol. Its IUPAC name is (2R)-N-[(Z)-1-(3-iodophenyl)ethylideneamino]-2-methoxy-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-N-[(Z)-1-(3-iodophenyl)ethylideneamino]-2-methoxy-2-phenylacetamide
PubChem CID7330111
Molecular FormulaC17H17IN2O2
Molecular Weight408.24 g/mol
Exact Mass408.03
IUPAC Name(2R)-N-[(Z)-1-(3-iodophenyl)ethylideneamino]-2-methoxy-2-phenylacetamide
SMILESCO[C@@H](C(=O)N/N=C(/C)c1cccc(I)c1)c1ccccc1
InChIInChI=1S/C17H17IN2O2/c1-12(14-9-6-10-15(18)11-14)19-20-17(21)16(22-2)13-7-4-3-5-8-13/h3-11,16H,1-2H3,(H,20,21)/b19-12-/t16-/m1/s1
InChIKeyLJZJSNMZQAFTCK-BKAYVGFPSA-N
XLogP3.52
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.24
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-[(Z)-1-(3-iodophenyl)ethylideneamino]-2-pyridin-2-ylsulfanylpropanamide
CID 27059714
N-[1-(3-aminophenyl)ethylideneamino]-2-hydroxy-2-phenylacetamide
CID 4080719
N-[(Z)-1-(3-aminophenyl)ethylideneamino]-3-iodobenzamide
CID 5376677
N-(4-iodophenyl)-2-methoxy-2-phenylacetamide
CID 55024606
N-hydroxy-2-methoxy-2-phenylacetamide
CID 14200442
N-[(2-methoxy-1,2-diphenylethylidene)amino]aniline
CID 555323
(2S)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-methoxy-2-phenylacetamide
CID 136757922
methyl 2-[(3-iodobenzoyl)amino]-2-phenylacetate
CID 62109863
(2S)-2-methoxy-N-[(Z)-(3-methylphenyl)methylideneamino]-2-phenylacetamide
CID 5410616
3-iodo-N-[(1R)-1-phenylethyl]benzamide
CID 1101324
(3Z)-N-(4-methoxyphenyl)-3-[[(2S)-2-methoxy-2-phenylacetyl]hydrazinylidene]butanamide
CID 40521153
2-methoxy-2-phenyl-N-[(2,4,6-trimethylphenyl)methylideneamino]acetamide
CID 2851057

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(Z)-1-(3-iodophenyl)ethylideneamino]-2-methoxy-2-phenylacetamide?
The IUPAC name of (2R)-N-[(Z)-1-(3-iodophenyl)ethylideneamino]-2-methoxy-2-phenylacetamide (CID 7330111) is (2R)-N-[(Z)-1-(3-iodophenyl)ethylideneamino]-2-methoxy-2-phenylacetamide.
What is the SMILES notation for (2R)-N-[(Z)-1-(3-iodophenyl)ethylideneamino]-2-methoxy-2-phenylacetamide?
The canonical SMILES for (2R)-N-[(Z)-1-(3-iodophenyl)ethylideneamino]-2-methoxy-2-phenylacetamide is CO[C@@H](C(=O)N/N=C(/C)c1cccc(I)c1)c1ccccc1.
What is the InChIKey of (2R)-N-[(Z)-1-(3-iodophenyl)ethylideneamino]-2-methoxy-2-phenylacetamide?
The InChIKey is LJZJSNMZQAFTCK-BKAYVGFPSA-N. The full InChI is InChI=1S/C17H17IN2O2/c1-12(14-9-6-10-15(18)11-14)19-20-17(21)16(22-2)13-7-4-3-5-8-13/h3-11,16H,1-2H3,(H,20,21)/b19-12-/t16-/m1/s1.
What are the key properties of (2R)-N-[(Z)-1-(3-iodophenyl)ethylideneamino]-2-methoxy-2-phenylacetamide?
(2R)-N-[(Z)-1-(3-iodophenyl)ethylideneamino]-2-methoxy-2-phenylacetamide has a molecular weight of 408.24 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(Z)-1-(3-iodophenyl)ethylideneamino]-2-methoxy-2-phenylacetamide is sourced from PubChem (CID 7330111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).