N-ethyl-N-(2-iodophenyl)-3-phenylprop-2-enamide

C17H16INO — CID 165178394

IUPACN-ethyl-N-(2-iodophenyl)-3-phenylprop-2-enamide
SMILESCCN(C(=O)C=Cc1ccccc1)c1ccccc1I
InChIInChI=1S/C17H16INO/c1-2-19(16-11-7-6-10-15(16)18)17(20)13-12-14-8-4-3-5-9-14/h3-13H,2H2,1H3
InChIKeyMTQYAXSKIZWNBA-UHFFFAOYSA-N
MW377.23 g/mol
LogP4.36
Rot. Bonds4

About N-ethyl-N-(2-iodophenyl)-3-phenylprop-2-enamide

N-ethyl-N-(2-iodophenyl)-3-phenylprop-2-enamide (PubChem CID 165178394) has the molecular formula C17H16INO and a molecular weight of 377.23 g/mol. Its IUPAC name is N-ethyl-N-(2-iodophenyl)-3-phenylprop-2-enamide.

Molecular Properties

Compound NameN-ethyl-N-(2-iodophenyl)-3-phenylprop-2-enamide
PubChem CID165178394
Molecular FormulaC17H16INO
Molecular Weight377.23 g/mol
Exact Mass377.03
IUPAC NameN-ethyl-N-(2-iodophenyl)-3-phenylprop-2-enamide
SMILESCCN(C(=O)C=Cc1ccccc1)c1ccccc1I
InChIInChI=1S/C17H16INO/c1-2-19(16-11-7-6-10-15(16)18)17(20)13-12-14-8-4-3-5-9-14/h3-13H,2H2,1H3
InChIKeyMTQYAXSKIZWNBA-UHFFFAOYSA-N
XLogP4.36
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.23
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(4-aminophenyl)-N-ethyl-N-(2-fluorophenyl)prop-2-enamide
CID 115343914
N-ethyl-3-(4-methylphenyl)-N-phenylprop-2-enamide
CID 917661
(E)-N-butyl-N-naphthalen-1-yl-3-phenylprop-2-enamide
CID 102223656
(E)-N-carbamoyl-N-ethyl-3-phenylprop-2-enamide
CID 70155111
2-[pentyl(3-phenylprop-2-enoyl)amino]benzoic acid
CID 67409211
2-[ethyl(3-phenylprop-2-enoyl)amino]-2-methylpropanoic acid
CID 76949889
N,N-dihydroxy-3-phenylprop-2-enamide
CID 141104282
(E)-3-[4-(diethylsulfamoyl)phenyl]-N-ethyl-N-phenylprop-2-enamide
CID 16558543
3-(1,3-benzodioxol-5-yl)-N-ethyl-N-(2-methylphenyl)prop-2-enamide
CID 879645
N,N-diethyl-2-oxo-4-phenylbut-3-enamide
CID 57095227
3-(2-chlorophenyl)-N-ethyl-N-(2-methylphenyl)prop-2-enamide
CID 4630618
(E)-3-(4-methylphenyl)-N-phenyl-N-propylprop-2-enamide
CID 126607669

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-iodophenyl)-3-phenylprop-2-enamide?
The IUPAC name of N-ethyl-N-(2-iodophenyl)-3-phenylprop-2-enamide (CID 165178394) is N-ethyl-N-(2-iodophenyl)-3-phenylprop-2-enamide.
What is the SMILES notation for N-ethyl-N-(2-iodophenyl)-3-phenylprop-2-enamide?
The canonical SMILES for N-ethyl-N-(2-iodophenyl)-3-phenylprop-2-enamide is CCN(C(=O)C=Cc1ccccc1)c1ccccc1I.
What is the InChIKey of N-ethyl-N-(2-iodophenyl)-3-phenylprop-2-enamide?
The InChIKey is MTQYAXSKIZWNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16INO/c1-2-19(16-11-7-6-10-15(16)18)17(20)13-12-14-8-4-3-5-9-14/h3-13H,2H2,1H3.
What are the key properties of N-ethyl-N-(2-iodophenyl)-3-phenylprop-2-enamide?
N-ethyl-N-(2-iodophenyl)-3-phenylprop-2-enamide has a molecular weight of 377.23 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-iodophenyl)-3-phenylprop-2-enamide is sourced from PubChem (CID 165178394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).