3-iodo-4-methoxy-N-(4-prop-2-enoxyphenyl)benzamide

C17H16INO3 — CID 4952478

IUPAC3-iodo-4-methoxy-N-(4-prop-2-enoxyphenyl)benzamide
SMILESC=CCOc1ccc(NC(=O)c2ccc(OC)c(I)c2)cc1
InChIInChI=1S/C17H16INO3/c1-3-10-22-14-7-5-13(6-8-14)19-17(20)12-4-9-16(21-2)15(18)11-12/h3-9,11H,1,10H2,2H3,(H,19,20)
InChIKeyNUHDASPKLZXDFU-UHFFFAOYSA-N
MW409.22 g/mol
LogP4.12
Rot. Bonds6

About 3-iodo-4-methoxy-N-(4-prop-2-enoxyphenyl)benzamide

3-iodo-4-methoxy-N-(4-prop-2-enoxyphenyl)benzamide (PubChem CID 4952478) has the molecular formula C17H16INO3 and a molecular weight of 409.22 g/mol. Its IUPAC name is 3-iodo-4-methoxy-N-(4-prop-2-enoxyphenyl)benzamide.

Molecular Properties

Compound Name3-iodo-4-methoxy-N-(4-prop-2-enoxyphenyl)benzamide
PubChem CID4952478
Molecular FormulaC17H16INO3
Molecular Weight409.22 g/mol
Exact Mass409.02
IUPAC Name3-iodo-4-methoxy-N-(4-prop-2-enoxyphenyl)benzamide
SMILESC=CCOc1ccc(NC(=O)c2ccc(OC)c(I)c2)cc1
InChIInChI=1S/C17H16INO3/c1-3-10-22-14-7-5-13(6-8-14)19-17(20)12-4-9-16(21-2)15(18)11-12/h3-9,11H,1,10H2,2H3,(H,19,20)
InChIKeyNUHDASPKLZXDFU-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-iodo-4-methoxy-N-[4-(prop-2-enylsulfamoyl)phenyl]benzamide
CID 4929820
N-(4-iodophenyl)-4-prop-2-enoxybenzamide
CID 4945151
3-methoxy-N-(4-methylphenyl)-4-prop-2-enoxybenzamide
CID 27284512
N-[4-(2-methoxyethoxy)phenyl]-4-prop-2-enoxybenzamide
CID 17340476
N-(3,4-dimethylphenyl)-4-prop-2-enoxybenzamide
CID 4778952
4-methyl-N-(4-prop-2-enoxyphenyl)benzamide
CID 4952484
methyl 3-[(4-prop-2-enoxyphenyl)carbamoyl]benzoate
CID 17175313
N-(4-anilinophenyl)-3-iodo-4-methoxybenzamide
CID 1010448
3,4-dimethoxy-N-[4-(prop-2-enylamino)phenyl]benzamide
CID 112980100
3-iodo-4-methoxy-N-[4-(propylcarbamoyl)phenyl]benzamide
CID 17218730
N-(3-iodophenyl)-3-methoxy-4-prop-2-enoxybenzamide
CID 27284595
methyl 2-[[4-[(3-methoxy-4-prop-2-enoxybenzoyl)amino]benzoyl]amino]acetate
CID 46516482

Frequently Asked Questions

What is the IUPAC name of 3-iodo-4-methoxy-N-(4-prop-2-enoxyphenyl)benzamide?
The IUPAC name of 3-iodo-4-methoxy-N-(4-prop-2-enoxyphenyl)benzamide (CID 4952478) is 3-iodo-4-methoxy-N-(4-prop-2-enoxyphenyl)benzamide.
What is the SMILES notation for 3-iodo-4-methoxy-N-(4-prop-2-enoxyphenyl)benzamide?
The canonical SMILES for 3-iodo-4-methoxy-N-(4-prop-2-enoxyphenyl)benzamide is C=CCOc1ccc(NC(=O)c2ccc(OC)c(I)c2)cc1.
What is the InChIKey of 3-iodo-4-methoxy-N-(4-prop-2-enoxyphenyl)benzamide?
The InChIKey is NUHDASPKLZXDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16INO3/c1-3-10-22-14-7-5-13(6-8-14)19-17(20)12-4-9-16(21-2)15(18)11-12/h3-9,11H,1,10H2,2H3,(H,19,20).
What are the key properties of 3-iodo-4-methoxy-N-(4-prop-2-enoxyphenyl)benzamide?
3-iodo-4-methoxy-N-(4-prop-2-enoxyphenyl)benzamide 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 3-iodo-4-methoxy-N-(4-prop-2-enoxyphenyl)benzamide is sourced from PubChem (CID 4952478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).