N-(3-iodophenyl)-3-methoxy-4-prop-2-enoxybenzamide

C17H16INO3 — CID 27284595

IUPACN-(3-iodophenyl)-3-methoxy-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)Nc2cccc(I)c2)cc1OC
InChIInChI=1S/C17H16INO3/c1-3-9-22-15-8-7-12(10-16(15)21-2)17(20)19-14-6-4-5-13(18)11-14/h3-8,10-11H,1,9H2,2H3,(H,19,20)
InChIKeyOMDZXJWSBWVVNI-UHFFFAOYSA-N
MW409.22 g/mol
LogP4.12
Rot. Bonds6

About N-(3-iodophenyl)-3-methoxy-4-prop-2-enoxybenzamide

N-(3-iodophenyl)-3-methoxy-4-prop-2-enoxybenzamide (PubChem CID 27284595) has the molecular formula C17H16INO3 and a molecular weight of 409.22 g/mol. Its IUPAC name is N-(3-iodophenyl)-3-methoxy-4-prop-2-enoxybenzamide.

Molecular Properties

Compound NameN-(3-iodophenyl)-3-methoxy-4-prop-2-enoxybenzamide
PubChem CID27284595
Molecular FormulaC17H16INO3
Molecular Weight409.22 g/mol
Exact Mass409.02
IUPAC NameN-(3-iodophenyl)-3-methoxy-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)Nc2cccc(I)c2)cc1OC
InChIInChI=1S/C17H16INO3/c1-3-9-22-15-8-7-12(10-16(15)21-2)17(20)19-14-6-4-5-13(18)11-14/h3-8,10-11H,1,9H2,2H3,(H,19,20)
InChIKeyOMDZXJWSBWVVNI-UHFFFAOYSA-N
XLogP4.12
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.22
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-N-(3-methoxyphenyl)-4-prop-2-enoxybenzamide
CID 27167629
3-methoxy-N-(4-methylphenyl)-4-prop-2-enoxybenzamide
CID 27284512
3-hydroxy-N-(3-iodophenyl)-4-methoxybenzamide
CID 79672942
N-(3-iodophenyl)-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide
CID 2418372
4-fluoro-N-(3-iodophenyl)-3-methoxybenzamide
CID 80948390
N-(3-iodophenyl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55585441
3-methoxy-4-prop-2-enoxy-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide
CID 55964259
N-[4-[(3-methoxy-4-prop-2-enoxybenzoyl)amino]phenyl]furan-2-carboxamide
CID 42014838
3-methoxy-4-prop-2-enoxy-N-quinolin-6-ylbenzamide
CID 60555760
methyl 2-[[4-[(3-methoxy-4-prop-2-enoxybenzoyl)amino]benzoyl]amino]acetate
CID 46516482
3-methoxy-4-prop-2-enoxy-N-quinolin-3-ylbenzamide
CID 29330284
3-iodo-4-methoxy-N-(4-prop-2-enoxyphenyl)benzamide
CID 4952478

Frequently Asked Questions

What is the IUPAC name of N-(3-iodophenyl)-3-methoxy-4-prop-2-enoxybenzamide?
The IUPAC name of N-(3-iodophenyl)-3-methoxy-4-prop-2-enoxybenzamide (CID 27284595) is N-(3-iodophenyl)-3-methoxy-4-prop-2-enoxybenzamide.
What is the SMILES notation for N-(3-iodophenyl)-3-methoxy-4-prop-2-enoxybenzamide?
The canonical SMILES for N-(3-iodophenyl)-3-methoxy-4-prop-2-enoxybenzamide is C=CCOc1ccc(C(=O)Nc2cccc(I)c2)cc1OC.
What is the InChIKey of N-(3-iodophenyl)-3-methoxy-4-prop-2-enoxybenzamide?
The InChIKey is OMDZXJWSBWVVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16INO3/c1-3-9-22-15-8-7-12(10-16(15)21-2)17(20)19-14-6-4-5-13(18)11-14/h3-8,10-11H,1,9H2,2H3,(H,19,20).
What are the key properties of N-(3-iodophenyl)-3-methoxy-4-prop-2-enoxybenzamide?
N-(3-iodophenyl)-3-methoxy-4-prop-2-enoxybenzamide has a molecular weight of 409.22 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iodophenyl)-3-methoxy-4-prop-2-enoxybenzamide is sourced from PubChem (CID 27284595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).