2-cyano-N-(2,4-dichlorophenyl)-3-(2-iodophenyl)prop-2-enamide

C16H9Cl2IN2O — CID 5034082

IUPAC2-cyano-N-(2,4-dichlorophenyl)-3-(2-iodophenyl)prop-2-enamide
SMILESN#CC(=Cc1ccccc1I)C(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H9Cl2IN2O/c17-12-5-6-15(13(18)8-12)21-16(22)11(9-20)7-10-3-1-2-4-14(10)19/h1-8H,(H,21,22)
InChIKeyUZMFATHRWWOZSX-UHFFFAOYSA-N
MW443.07 g/mol
LogP5.14
Rot. Bonds3

About 2-cyano-N-(2,4-dichlorophenyl)-3-(2-iodophenyl)prop-2-enamide

2-cyano-N-(2,4-dichlorophenyl)-3-(2-iodophenyl)prop-2-enamide (PubChem CID 5034082) has the molecular formula C16H9Cl2IN2O and a molecular weight of 443.07 g/mol. Its IUPAC name is 2-cyano-N-(2,4-dichlorophenyl)-3-(2-iodophenyl)prop-2-enamide.

Molecular Properties

Compound Name2-cyano-N-(2,4-dichlorophenyl)-3-(2-iodophenyl)prop-2-enamide
PubChem CID5034082
Molecular FormulaC16H9Cl2IN2O
Molecular Weight443.07 g/mol
Exact Mass441.91
IUPAC Name2-cyano-N-(2,4-dichlorophenyl)-3-(2-iodophenyl)prop-2-enamide
SMILESN#CC(=Cc1ccccc1I)C(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H9Cl2IN2O/c17-12-5-6-15(13(18)8-12)21-16(22)11(9-20)7-10-3-1-2-4-14(10)19/h1-8H,(H,21,22)
InChIKeyUZMFATHRWWOZSX-UHFFFAOYSA-N
XLogP5.14
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.07
LogP ≤ 55.14
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

(E)-3-(4-bromo-2-fluorophenyl)-2-cyano-N-(2,4-dichlorophenyl)prop-2-enamide
CID 18280514
(Z)-2-cyano-3-(2-iodophenyl)-N-(2-methoxyphenyl)prop-2-enamide
CID 2688799
2-cyano-3-(2-iodophenyl)-N-methylprop-2-enamide
CID 3906510
(E)-2-cyano-3-(2,4-dichlorophenyl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide
CID 18289861
(E)-2-cyano-N-(2,4-dichlorophenyl)-3-(3-ethoxy-4-iodophenyl)prop-2-enamide
CID 21229895
(E)-3-(4-bromothiophen-2-yl)-2-cyano-N-(2,4-dichlorophenyl)prop-2-enamide
CID 7969380
(Z)-2-cyano-N-(2,4-dichlorophenyl)-3-(pyrimidin-2-ylamino)prop-2-enamide
CID 108828865
(Z)-2-cyano-3-(dibenzylamino)-N-(2,4-dichlorophenyl)prop-2-enamide
CID 108828890
(Z)-N-(4-chloro-2-nitrophenyl)-2-cyano-3-(2,4-dichlorophenyl)prop-2-enamide
CID 20834811
(Z)-2-cyano-N-(2,4-dichlorophenyl)-3-(2-ethylanilino)prop-2-enamide
CID 108828959
(E)-2-cyano-N-(2,4-dichlorophenyl)-3-(6-ethoxy-1,3-benzodioxol-5-yl)prop-2-enamide
CID 126106524
2-[[(Z)-2-cyano-3-(2,4-dichloroanilino)-3-oxoprop-1-enyl]amino]acetic acid
CID 108828792

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2,4-dichlorophenyl)-3-(2-iodophenyl)prop-2-enamide?
The IUPAC name of 2-cyano-N-(2,4-dichlorophenyl)-3-(2-iodophenyl)prop-2-enamide (CID 5034082) is 2-cyano-N-(2,4-dichlorophenyl)-3-(2-iodophenyl)prop-2-enamide.
What is the SMILES notation for 2-cyano-N-(2,4-dichlorophenyl)-3-(2-iodophenyl)prop-2-enamide?
The canonical SMILES for 2-cyano-N-(2,4-dichlorophenyl)-3-(2-iodophenyl)prop-2-enamide is N#CC(=Cc1ccccc1I)C(=O)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-cyano-N-(2,4-dichlorophenyl)-3-(2-iodophenyl)prop-2-enamide?
The InChIKey is UZMFATHRWWOZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Cl2IN2O/c17-12-5-6-15(13(18)8-12)21-16(22)11(9-20)7-10-3-1-2-4-14(10)19/h1-8H,(H,21,22).
What are the key properties of 2-cyano-N-(2,4-dichlorophenyl)-3-(2-iodophenyl)prop-2-enamide?
2-cyano-N-(2,4-dichlorophenyl)-3-(2-iodophenyl)prop-2-enamide has a molecular weight of 443.07 g/mol, XLogP of 5.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2,4-dichlorophenyl)-3-(2-iodophenyl)prop-2-enamide is sourced from PubChem (CID 5034082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).