2-(4-iodophenoxy)-N-[(Z)-1-naphthalen-2-ylethylideneamino]acetamide

C20H17IN2O2 — CID 41290636

IUPAC2-(4-iodophenoxy)-N-[(Z)-1-naphthalen-2-ylethylideneamino]acetamide
SMILESC/C(=N/NC(=O)COc1ccc(I)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C20H17IN2O2/c1-14(16-7-6-15-4-2-3-5-17(15)12-16)22-23-20(24)13-25-19-10-8-18(21)9-11-19/h2-12H,13H2,1H3,(H,23,24)/b22-14-
InChIKeyVLCBILVMCDWVQG-HMAPJEAMSA-N
MW444.27 g/mol
LogP4.36
Rot. Bonds5

About 2-(4-iodophenoxy)-N-[(Z)-1-naphthalen-2-ylethylideneamino]acetamide

2-(4-iodophenoxy)-N-[(Z)-1-naphthalen-2-ylethylideneamino]acetamide (PubChem CID 41290636) has the molecular formula C20H17IN2O2 and a molecular weight of 444.27 g/mol. Its IUPAC name is 2-(4-iodophenoxy)-N-[(Z)-1-naphthalen-2-ylethylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-iodophenoxy)-N-[(Z)-1-naphthalen-2-ylethylideneamino]acetamide
PubChem CID41290636
Molecular FormulaC20H17IN2O2
Molecular Weight444.27 g/mol
Exact Mass444.03
IUPAC Name2-(4-iodophenoxy)-N-[(Z)-1-naphthalen-2-ylethylideneamino]acetamide
SMILESC/C(=N/NC(=O)COc1ccc(I)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C20H17IN2O2/c1-14(16-7-6-15-4-2-3-5-17(15)12-16)22-23-20(24)13-25-19-10-8-18(21)9-11-19/h2-12H,13H2,1H3,(H,23,24)/b22-14-
InChIKeyVLCBILVMCDWVQG-HMAPJEAMSA-N
XLogP4.36
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.27
LogP ≤ 54.36
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

N-(1-naphthalen-2-ylethylideneamino)-2-phenoxyacetamide
CID 913446
2-(4-iodophenoxy)-N-[(Z)-1-phenylethylideneamino]acetamide
CID 171980951
N-[1-(3,4-dimethylphenyl)ethylideneamino]-2-naphthalen-2-yloxyacetamide
CID 4609255
N-[1-(4-methoxyphenyl)ethylideneamino]-2-naphthalen-2-yloxyacetamide
CID 4109084
N-[1-(3-methoxyphenyl)ethylideneamino]-2-naphthalen-2-yloxyacetamide
CID 4133967
N-(1-naphthalen-2-ylethylideneamino)-2-(2,4,5-trichlorophenoxy)acetamide
CID 4583055
2-naphthalen-2-yloxy-N-(propan-2-ylideneamino)acetamide
CID 5204578
2-phenoxy-N-(1-phenylethylideneamino)acetamide
CID 3448907
N-[4-[C-methyl-N-[(2-naphthalen-2-yloxyacetyl)amino]carbonimidoyl]phenyl]cyclopropanecarboxamide
CID 3584141
N,N'-bis(1-naphthalen-2-ylethylideneamino)octanediamide
CID 4172674
N,N'-bis[(Z)-1-naphthalen-2-ylethylideneamino]nonanediamide
CID 92652613
2-(3,4-dimethylphenoxy)-N-(1-phenylethylideneamino)acetamide
CID 71950740

Frequently Asked Questions

What is the IUPAC name of 2-(4-iodophenoxy)-N-[(Z)-1-naphthalen-2-ylethylideneamino]acetamide?
The IUPAC name of 2-(4-iodophenoxy)-N-[(Z)-1-naphthalen-2-ylethylideneamino]acetamide (CID 41290636) is 2-(4-iodophenoxy)-N-[(Z)-1-naphthalen-2-ylethylideneamino]acetamide.
What is the SMILES notation for 2-(4-iodophenoxy)-N-[(Z)-1-naphthalen-2-ylethylideneamino]acetamide?
The canonical SMILES for 2-(4-iodophenoxy)-N-[(Z)-1-naphthalen-2-ylethylideneamino]acetamide is C/C(=N/NC(=O)COc1ccc(I)cc1)c1ccc2ccccc2c1.
What is the InChIKey of 2-(4-iodophenoxy)-N-[(Z)-1-naphthalen-2-ylethylideneamino]acetamide?
The InChIKey is VLCBILVMCDWVQG-HMAPJEAMSA-N. The full InChI is InChI=1S/C20H17IN2O2/c1-14(16-7-6-15-4-2-3-5-17(15)12-16)22-23-20(24)13-25-19-10-8-18(21)9-11-19/h2-12H,13H2,1H3,(H,23,24)/b22-14-.
What are the key properties of 2-(4-iodophenoxy)-N-[(Z)-1-naphthalen-2-ylethylideneamino]acetamide?
2-(4-iodophenoxy)-N-[(Z)-1-naphthalen-2-ylethylideneamino]acetamide has a molecular weight of 444.27 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodophenoxy)-N-[(Z)-1-naphthalen-2-ylethylideneamino]acetamide is sourced from PubChem (CID 41290636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).