2-cyano-N-[(Z)-1-(4-iodophenyl)ethylideneamino]acetamide

C11H10IN3O — CID 8022911

IUPAC2-cyano-N-[(Z)-1-(4-iodophenyl)ethylideneamino]acetamide
SMILESC/C(=N/NC(=O)CC#N)c1ccc(I)cc1
InChIInChI=1S/C11H10IN3O/c1-8(14-15-11(16)6-7-13)9-2-4-10(12)5-3-9/h2-5H,6H2,1H3,(H,15,16)/b14-8-
InChIKeyWSGGPGAXPRQVBJ-ZSOIEALJSA-N
MW327.13 g/mol
LogP2.05
Rot. Bonds3

About 2-cyano-N-[(Z)-1-(4-iodophenyl)ethylideneamino]acetamide

2-cyano-N-[(Z)-1-(4-iodophenyl)ethylideneamino]acetamide (PubChem CID 8022911) has the molecular formula C11H10IN3O and a molecular weight of 327.13 g/mol. Its IUPAC name is 2-cyano-N-[(Z)-1-(4-iodophenyl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-cyano-N-[(Z)-1-(4-iodophenyl)ethylideneamino]acetamide
PubChem CID8022911
Molecular FormulaC11H10IN3O
Molecular Weight327.13 g/mol
Exact Mass326.99
IUPAC Name2-cyano-N-[(Z)-1-(4-iodophenyl)ethylideneamino]acetamide
SMILESC/C(=N/NC(=O)CC#N)c1ccc(I)cc1
InChIInChI=1S/C11H10IN3O/c1-8(14-15-11(16)6-7-13)9-2-4-10(12)5-3-9/h2-5H,6H2,1H3,(H,15,16)/b14-8-
InChIKeyWSGGPGAXPRQVBJ-ZSOIEALJSA-N
XLogP2.05
TPSA65.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.13
LogP ≤ 52.05
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

2-cyano-N-[1-(4-phenoxyphenyl)ethylideneamino]acetamide
CID 5171584
2-cyano-N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]acetamide
CID 92664451
N-[(E)-1-[4-[(4-chlorophenyl)sulfonylamino]phenyl]ethylideneamino]-2-cyanoacetamide
CID 127048849
2-cyano-N-[1-(4-piperidin-1-ylsulfonylphenyl)ethylideneamino]acetamide
CID 75601364
N-[(Z)-1-[4-[(4-chlorophenyl)methoxy]phenyl]ethylideneamino]-2-cyanoacetamide
CID 124890840
2-cyano-N-[(Z)-1-(1H-indol-6-yl)ethylideneamino]acetamide
CID 6278267
2-cyano-N-[1-(furan-2-yl)ethylideneamino]acetamide
CID 2848867
2-cyano-N-[(E)-1-(furan-2-yl)ethylideneamino]acetamide
CID 5334027
N-[(Z)-1-(4-iodophenyl)ethylideneamino]-2-(2-oxo-1-pyridinyl)acetamide
CID 8883957
2-(4-iodophenoxy)-N-[(Z)-1-phenylethylideneamino]acetamide
CID 171980951
N-[(Z)-1-(4-iodophenyl)ethylideneamino]-4-nitrobenzamide
CID 9014822
[(Z)-1-(4-iodophenyl)ethylideneamino]thiourea
CID 103600904

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(Z)-1-(4-iodophenyl)ethylideneamino]acetamide?
The IUPAC name of 2-cyano-N-[(Z)-1-(4-iodophenyl)ethylideneamino]acetamide (CID 8022911) is 2-cyano-N-[(Z)-1-(4-iodophenyl)ethylideneamino]acetamide.
What is the SMILES notation for 2-cyano-N-[(Z)-1-(4-iodophenyl)ethylideneamino]acetamide?
The canonical SMILES for 2-cyano-N-[(Z)-1-(4-iodophenyl)ethylideneamino]acetamide is C/C(=N/NC(=O)CC#N)c1ccc(I)cc1.
What is the InChIKey of 2-cyano-N-[(Z)-1-(4-iodophenyl)ethylideneamino]acetamide?
The InChIKey is WSGGPGAXPRQVBJ-ZSOIEALJSA-N. The full InChI is InChI=1S/C11H10IN3O/c1-8(14-15-11(16)6-7-13)9-2-4-10(12)5-3-9/h2-5H,6H2,1H3,(H,15,16)/b14-8-.
What are the key properties of 2-cyano-N-[(Z)-1-(4-iodophenyl)ethylideneamino]acetamide?
2-cyano-N-[(Z)-1-(4-iodophenyl)ethylideneamino]acetamide has a molecular weight of 327.13 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[(Z)-1-(4-iodophenyl)ethylideneamino]acetamide is sourced from PubChem (CID 8022911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).