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

C16H14INO2 — CID 4945151

IUPACN-(4-iodophenyl)-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)Nc2ccc(I)cc2)cc1
InChIInChI=1S/C16H14INO2/c1-2-11-20-15-9-3-12(4-10-15)16(19)18-14-7-5-13(17)6-8-14/h2-10H,1,11H2,(H,18,19)
InChIKeyCIDRYPOZZIVMKU-UHFFFAOYSA-N
MW379.20 g/mol
LogP4.11
Rot. Bonds5

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

N-(4-iodophenyl)-4-prop-2-enoxybenzamide (PubChem CID 4945151) has the molecular formula C16H14INO2 and a molecular weight of 379.20 g/mol. Its IUPAC name is N-(4-iodophenyl)-4-prop-2-enoxybenzamide.

Molecular Properties

Compound NameN-(4-iodophenyl)-4-prop-2-enoxybenzamide
PubChem CID4945151
Molecular FormulaC16H14INO2
Molecular Weight379.20 g/mol
Exact Mass379.01
IUPAC NameN-(4-iodophenyl)-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)Nc2ccc(I)cc2)cc1
InChIInChI=1S/C16H14INO2/c1-2-11-20-15-9-3-12(4-10-15)16(19)18-14-7-5-13(17)6-8-14/h2-10H,1,11H2,(H,18,19)
InChIKeyCIDRYPOZZIVMKU-UHFFFAOYSA-N
XLogP4.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.20
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-(4-prop-2-enoxyphenyl)benzamide
CID 4952484
N-[4-(2-methoxyethoxy)phenyl]-4-prop-2-enoxybenzamide
CID 17340476
N-(3,4-dimethylphenyl)-4-prop-2-enoxybenzamide
CID 4778952
4-propan-2-yl-N-(4-prop-2-enoxyphenyl)benzamide
CID 17177445
3-iodo-4-methoxy-N-(4-prop-2-enoxyphenyl)benzamide
CID 4952478
4-iodo-N-[4-[(4-iodobenzoyl)amino]phenyl]benzamide
CID 4105689
3-bromo-N-(4-iodophenyl)-4-prop-2-enoxybenzamide
CID 17067187
N-(4-piperidin-1-ylphenyl)-4-prop-2-enoxybenzamide
CID 39693235
N-(4-iodophenyl)-4-pentoxybenzamide
CID 4935000
N-(5-acetamido-2-methylphenyl)-4-prop-2-enoxybenzamide
CID 46463696
N-(4-prop-2-enoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 100617165
N-(4-prop-2-enoxyphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 100681564

Frequently Asked Questions

What is the IUPAC name of N-(4-iodophenyl)-4-prop-2-enoxybenzamide?
The IUPAC name of N-(4-iodophenyl)-4-prop-2-enoxybenzamide (CID 4945151) is N-(4-iodophenyl)-4-prop-2-enoxybenzamide.
What is the SMILES notation for N-(4-iodophenyl)-4-prop-2-enoxybenzamide?
The canonical SMILES for N-(4-iodophenyl)-4-prop-2-enoxybenzamide is C=CCOc1ccc(C(=O)Nc2ccc(I)cc2)cc1.
What is the InChIKey of N-(4-iodophenyl)-4-prop-2-enoxybenzamide?
The InChIKey is CIDRYPOZZIVMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14INO2/c1-2-11-20-15-9-3-12(4-10-15)16(19)18-14-7-5-13(17)6-8-14/h2-10H,1,11H2,(H,18,19).
What are the key properties of N-(4-iodophenyl)-4-prop-2-enoxybenzamide?
N-(4-iodophenyl)-4-prop-2-enoxybenzamide has a molecular weight of 379.20 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodophenyl)-4-prop-2-enoxybenzamide is sourced from PubChem (CID 4945151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).