N-(2-iodophenyl)-N-methyl-2-phenylprop-2-enamide

C16H14INO — CID 122384711

IUPACN-(2-iodophenyl)-N-methyl-2-phenylprop-2-enamide
SMILESC=C(C(=O)N(C)c1ccccc1I)c1ccccc1
InChIInChI=1S/C16H14INO/c1-12(13-8-4-3-5-9-13)16(19)18(2)15-11-7-6-10-14(15)17/h3-11H,1H2,2H3
InChIKeyZVLRJBPVHWJWAG-UHFFFAOYSA-N
MW363.20 g/mol
LogP3.97
Rot. Bonds3

About N-(2-iodophenyl)-N-methyl-2-phenylprop-2-enamide

N-(2-iodophenyl)-N-methyl-2-phenylprop-2-enamide (PubChem CID 122384711) has the molecular formula C16H14INO and a molecular weight of 363.20 g/mol. Its IUPAC name is N-(2-iodophenyl)-N-methyl-2-phenylprop-2-enamide.

Molecular Properties

Compound NameN-(2-iodophenyl)-N-methyl-2-phenylprop-2-enamide
PubChem CID122384711
Molecular FormulaC16H14INO
Molecular Weight363.20 g/mol
Exact Mass363.01
IUPAC NameN-(2-iodophenyl)-N-methyl-2-phenylprop-2-enamide
SMILESC=C(C(=O)N(C)c1ccccc1I)c1ccccc1
InChIInChI=1S/C16H14INO/c1-12(13-8-4-3-5-9-13)16(19)18(2)15-11-7-6-10-14(15)17/h3-11H,1H2,2H3
InChIKeyZVLRJBPVHWJWAG-UHFFFAOYSA-N
XLogP3.97
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.20
LogP ≤ 53.97
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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Frequently Asked Questions

What is the IUPAC name of N-(2-iodophenyl)-N-methyl-2-phenylprop-2-enamide?
The IUPAC name of N-(2-iodophenyl)-N-methyl-2-phenylprop-2-enamide (CID 122384711) is N-(2-iodophenyl)-N-methyl-2-phenylprop-2-enamide.
What is the SMILES notation for N-(2-iodophenyl)-N-methyl-2-phenylprop-2-enamide?
The canonical SMILES for N-(2-iodophenyl)-N-methyl-2-phenylprop-2-enamide is C=C(C(=O)N(C)c1ccccc1I)c1ccccc1.
What is the InChIKey of N-(2-iodophenyl)-N-methyl-2-phenylprop-2-enamide?
The InChIKey is ZVLRJBPVHWJWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14INO/c1-12(13-8-4-3-5-9-13)16(19)18(2)15-11-7-6-10-14(15)17/h3-11H,1H2,2H3.
What are the key properties of N-(2-iodophenyl)-N-methyl-2-phenylprop-2-enamide?
N-(2-iodophenyl)-N-methyl-2-phenylprop-2-enamide has a molecular weight of 363.20 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-iodophenyl)-N-methyl-2-phenylprop-2-enamide is sourced from PubChem (CID 122384711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).