(E)-N-(2-iodophenyl)-2-(2-phenylmethoxyphenyl)but-2-enamide

C23H20INO2 — CID 11990869

IUPAC(E)-N-(2-iodophenyl)-2-(2-phenylmethoxyphenyl)but-2-enamide
SMILESC/C=C(/C(=O)Nc1ccccc1I)c1ccccc1OCc1ccccc1
InChIInChI=1S/C23H20INO2/c1-2-18(23(26)25-21-14-8-7-13-20(21)24)19-12-6-9-15-22(19)27-16-17-10-4-3-5-11-17/h2-15H,16H2,1H3,(H,25,26)/b18-2+
InChIKeyBARKIRZOYXOWLP-LPRJTOQXSA-N
MW469.32 g/mol
LogP5.91
Rot. Bonds6

About (E)-N-(2-iodophenyl)-2-(2-phenylmethoxyphenyl)but-2-enamide

(E)-N-(2-iodophenyl)-2-(2-phenylmethoxyphenyl)but-2-enamide (PubChem CID 11990869) has the molecular formula C23H20INO2 and a molecular weight of 469.32 g/mol. Its IUPAC name is (E)-N-(2-iodophenyl)-2-(2-phenylmethoxyphenyl)but-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-iodophenyl)-2-(2-phenylmethoxyphenyl)but-2-enamide
PubChem CID11990869
Molecular FormulaC23H20INO2
Molecular Weight469.32 g/mol
Exact Mass469.05
IUPAC Name(E)-N-(2-iodophenyl)-2-(2-phenylmethoxyphenyl)but-2-enamide
SMILESC/C=C(/C(=O)Nc1ccccc1I)c1ccccc1OCc1ccccc1
InChIInChI=1S/C23H20INO2/c1-2-18(23(26)25-21-14-8-7-13-20(21)24)19-12-6-9-15-22(19)27-16-17-10-4-3-5-11-17/h2-15H,16H2,1H3,(H,25,26)/b18-2+
InChIKeyBARKIRZOYXOWLP-LPRJTOQXSA-N
XLogP5.91
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.32
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

N-(2-iodo-6-phenylmethoxyphenyl)-2-phenylmethoxybenzamide
CID 134843710
2-phenylmethoxy-N-(2-prop-2-enoxyphenyl)benzamide
CID 17098011
3-methoxy-2-(2-phenylmethoxyphenyl)prop-2-enoic acid
CID 54476802
benzyl N-(2-iodophenyl)carbamate
CID 10959121
(Z)-2-acetamido-3-phenyl-N-(2-phenylmethoxyphenyl)prop-2-enamide
CID 17093528
dimethyl (E)-2,3-bis(2-phenylmethoxyphenyl)but-2-enedioate
CID 135020990
methyl 2-[2-(2-iodoanilino)-2-oxoethoxy]benzoate
CID 7763964
2-(2-methoxyethoxy)-N-[(2-phenylmethoxyphenyl)carbamothioyl]benzamide
CID 17093705
N-tert-butyl-2-phenylmethoxybenzamide
CID 4946348
2-phenylmethoxybenzoyl chloride
CID 10999355
N-(2-hydroxy-5-methylphenyl)-2-phenylmethoxybenzamide
CID 4946343
methyl 2-[[4-[(2-methoxycarbonylphenoxy)methyl]phenyl]methoxy]benzoate
CID 14323673

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-iodophenyl)-2-(2-phenylmethoxyphenyl)but-2-enamide?
The IUPAC name of (E)-N-(2-iodophenyl)-2-(2-phenylmethoxyphenyl)but-2-enamide (CID 11990869) is (E)-N-(2-iodophenyl)-2-(2-phenylmethoxyphenyl)but-2-enamide.
What is the SMILES notation for (E)-N-(2-iodophenyl)-2-(2-phenylmethoxyphenyl)but-2-enamide?
The canonical SMILES for (E)-N-(2-iodophenyl)-2-(2-phenylmethoxyphenyl)but-2-enamide is C/C=C(/C(=O)Nc1ccccc1I)c1ccccc1OCc1ccccc1.
What is the InChIKey of (E)-N-(2-iodophenyl)-2-(2-phenylmethoxyphenyl)but-2-enamide?
The InChIKey is BARKIRZOYXOWLP-LPRJTOQXSA-N. The full InChI is InChI=1S/C23H20INO2/c1-2-18(23(26)25-21-14-8-7-13-20(21)24)19-12-6-9-15-22(19)27-16-17-10-4-3-5-11-17/h2-15H,16H2,1H3,(H,25,26)/b18-2+.
What are the key properties of (E)-N-(2-iodophenyl)-2-(2-phenylmethoxyphenyl)but-2-enamide?
(E)-N-(2-iodophenyl)-2-(2-phenylmethoxyphenyl)but-2-enamide has a molecular weight of 469.32 g/mol, XLogP of 5.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-iodophenyl)-2-(2-phenylmethoxyphenyl)but-2-enamide is sourced from PubChem (CID 11990869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).