(E)-N-(4-bromo-3-iodophenyl)-3-phenylprop-2-enamide

C15H11BrINO — CID 114259316

IUPAC(E)-N-(4-bromo-3-iodophenyl)-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)Nc1ccc(Br)c(I)c1
InChIInChI=1S/C15H11BrINO/c16-13-8-7-12(10-14(13)17)18-15(19)9-6-11-4-2-1-3-5-11/h1-10H,(H,18,19)/b9-6+
InChIKeyVGXUZWGKNXVABR-RMKNXTFCSA-N
MW428.07 g/mol
LogP4.71
Rot. Bonds3

About (E)-N-(4-bromo-3-iodophenyl)-3-phenylprop-2-enamide

(E)-N-(4-bromo-3-iodophenyl)-3-phenylprop-2-enamide (PubChem CID 114259316) has the molecular formula C15H11BrINO and a molecular weight of 428.07 g/mol. Its IUPAC name is (E)-N-(4-bromo-3-iodophenyl)-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-bromo-3-iodophenyl)-3-phenylprop-2-enamide
PubChem CID114259316
Molecular FormulaC15H11BrINO
Molecular Weight428.07 g/mol
Exact Mass426.91
IUPAC Name(E)-N-(4-bromo-3-iodophenyl)-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)Nc1ccc(Br)c(I)c1
InChIInChI=1S/C15H11BrINO/c16-13-8-7-12(10-14(13)17)18-15(19)9-6-11-4-2-1-3-5-11/h1-10H,(H,18,19)/b9-6+
InChIKeyVGXUZWGKNXVABR-RMKNXTFCSA-N
XLogP4.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.07
LogP ≤ 54.71
H-Bond Donors ≤ 51
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)-N,3-diphenylprop-2-enamide;ethane
CID 123527291
(E)-N-(3-hydroxy-4-methylphenyl)-3-phenylprop-2-enamide
CID 837187
3-(3-bromophenyl)-N-phenylprop-2-enamide
CID 73014355
(E)-N-(4-chloro-3-methylphenyl)-3-phenylprop-2-enamide
CID 59569556
3-(4-bromophenyl)-N-[3-[3-(4-bromophenyl)prop-2-enoylamino]phenyl]prop-2-enamide
CID 4198412
(E)-3-phenyl-N-[3-[(E)-3-phenylprop-2-enoyl]phenyl]prop-2-enamide
CID 5286756
(Z)-N-[4-[2,6-bis[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]pyrimidin-4-yl]phenyl]-3-phenylprop-2-enamide
CID 99690618
(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylprop-2-enamide
CID 732540
(E)-3-(4-chlorophenyl)-N-(3-iodo-4-methylphenyl)prop-2-enamide
CID 7925553
(E)-N-(1-benzothiophen-5-yl)-3-phenylprop-2-enamide
CID 2423036
(E)-3-phenyl-N-(3-sulfamoylphenyl)prop-2-enamide
CID 5348189
N-(1,3-benzodioxol-5-yl)-3-phenylprop-2-enamide
CID 4106400

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-bromo-3-iodophenyl)-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-(4-bromo-3-iodophenyl)-3-phenylprop-2-enamide (CID 114259316) is (E)-N-(4-bromo-3-iodophenyl)-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-(4-bromo-3-iodophenyl)-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-(4-bromo-3-iodophenyl)-3-phenylprop-2-enamide is O=C(/C=C/c1ccccc1)Nc1ccc(Br)c(I)c1.
What is the InChIKey of (E)-N-(4-bromo-3-iodophenyl)-3-phenylprop-2-enamide?
The InChIKey is VGXUZWGKNXVABR-RMKNXTFCSA-N. The full InChI is InChI=1S/C15H11BrINO/c16-13-8-7-12(10-14(13)17)18-15(19)9-6-11-4-2-1-3-5-11/h1-10H,(H,18,19)/b9-6+.
What are the key properties of (E)-N-(4-bromo-3-iodophenyl)-3-phenylprop-2-enamide?
(E)-N-(4-bromo-3-iodophenyl)-3-phenylprop-2-enamide has a molecular weight of 428.07 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-bromo-3-iodophenyl)-3-phenylprop-2-enamide is sourced from PubChem (CID 114259316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).