2-cyano-3-(2-iodophenyl)-N-methylprop-2-enamide

C11H9IN2O — CID 3906510

IUPAC2-cyano-3-(2-iodophenyl)-N-methylprop-2-enamide
SMILESCNC(=O)C(C#N)=Cc1ccccc1I
InChIInChI=1S/C11H9IN2O/c1-14-11(15)9(7-13)6-8-4-2-3-5-10(8)12/h2-6H,1H3,(H,14,15)
InChIKeyGDORQPOOWWGYKM-UHFFFAOYSA-N
MW312.11 g/mol
LogP1.94
Rot. Bonds2

About 2-cyano-3-(2-iodophenyl)-N-methylprop-2-enamide

2-cyano-3-(2-iodophenyl)-N-methylprop-2-enamide (PubChem CID 3906510) has the molecular formula C11H9IN2O and a molecular weight of 312.11 g/mol. Its IUPAC name is 2-cyano-3-(2-iodophenyl)-N-methylprop-2-enamide.

Molecular Properties

Compound Name2-cyano-3-(2-iodophenyl)-N-methylprop-2-enamide
PubChem CID3906510
Molecular FormulaC11H9IN2O
Molecular Weight312.11 g/mol
Exact Mass311.98
IUPAC Name2-cyano-3-(2-iodophenyl)-N-methylprop-2-enamide
SMILESCNC(=O)C(C#N)=Cc1ccccc1I
InChIInChI=1S/C11H9IN2O/c1-14-11(15)9(7-13)6-8-4-2-3-5-10(8)12/h2-6H,1H3,(H,14,15)
InChIKeyGDORQPOOWWGYKM-UHFFFAOYSA-N
XLogP1.94
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.11
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-2-cyano-3-(2-fluorophenyl)-N-methylprop-2-enamide
CID 19183427
2-[(Z)-2-cyano-3-(methylamino)-3-oxoprop-1-enyl]benzoic acid
CID 19183471
(Z)-2-cyano-3-(2-iodophenyl)-N-(2-methoxyphenyl)prop-2-enamide
CID 2688799
(Z)-2-cyano-3-(2-iodophenyl)-N-(4-methoxyphenyl)prop-2-enamide
CID 2688955
2-cyano-N-(2,4-dichlorophenyl)-3-(2-iodophenyl)prop-2-enamide
CID 5034082
(E)-2-cyano-N-(furan-2-ylmethyl)-3-(2-iodophenyl)prop-2-enamide
CID 2688552
2-methoxyethyl (Z)-2-cyano-3-(2-iodophenyl)prop-2-enoate
CID 2688487
2-methoxyethyl (E)-2-cyano-3-(2-iodophenyl)prop-2-enoate
CID 2688488
(E)-3-(4-bromo-2-chlorophenyl)-2-cyano-N-methylprop-2-enamide
CID 75407852
2-[(2-iodophenyl)methylidene]propanedinitrile
CID 2302403
(E)-2-(3,5-dimethylpyrazole-1-carbonyl)-3-(2-iodophenyl)prop-2-enenitrile
CID 126393216
2-cyano-3-(7-ethyl-1H-indol-3-yl)-N-methylprop-2-enamide
CID 78608845

Frequently Asked Questions

What is the IUPAC name of 2-cyano-3-(2-iodophenyl)-N-methylprop-2-enamide?
The IUPAC name of 2-cyano-3-(2-iodophenyl)-N-methylprop-2-enamide (CID 3906510) is 2-cyano-3-(2-iodophenyl)-N-methylprop-2-enamide.
What is the SMILES notation for 2-cyano-3-(2-iodophenyl)-N-methylprop-2-enamide?
The canonical SMILES for 2-cyano-3-(2-iodophenyl)-N-methylprop-2-enamide is CNC(=O)C(C#N)=Cc1ccccc1I.
What is the InChIKey of 2-cyano-3-(2-iodophenyl)-N-methylprop-2-enamide?
The InChIKey is GDORQPOOWWGYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9IN2O/c1-14-11(15)9(7-13)6-8-4-2-3-5-10(8)12/h2-6H,1H3,(H,14,15).
What are the key properties of 2-cyano-3-(2-iodophenyl)-N-methylprop-2-enamide?
2-cyano-3-(2-iodophenyl)-N-methylprop-2-enamide has a molecular weight of 312.11 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-3-(2-iodophenyl)-N-methylprop-2-enamide is sourced from PubChem (CID 3906510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).