N-[1-(2,5-dimethoxyphenyl)ethyl]-2-iodo-4-methylbenzamide

C18H20INO3 — CID 133164699

IUPACN-[1-(2,5-dimethoxyphenyl)ethyl]-2-iodo-4-methylbenzamide
SMILESCOc1ccc(OC)c(C(C)NC(=O)c2ccc(C)cc2I)c1
InChIInChI=1S/C18H20INO3/c1-11-5-7-14(16(19)9-11)18(21)20-12(2)15-10-13(22-3)6-8-17(15)23-4/h5-10,12H,1-4H3,(H,20,21)
InChIKeyCKHFBESEJXMLDS-UHFFFAOYSA-N
MW425.27 g/mol
LogP4.11
Rot. Bonds5

About N-[1-(2,5-dimethoxyphenyl)ethyl]-2-iodo-4-methylbenzamide

N-[1-(2,5-dimethoxyphenyl)ethyl]-2-iodo-4-methylbenzamide (PubChem CID 133164699) has the molecular formula C18H20INO3 and a molecular weight of 425.27 g/mol. Its IUPAC name is N-[1-(2,5-dimethoxyphenyl)ethyl]-2-iodo-4-methylbenzamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethoxyphenyl)ethyl]-2-iodo-4-methylbenzamide
PubChem CID133164699
Molecular FormulaC18H20INO3
Molecular Weight425.27 g/mol
Exact Mass425.05
IUPAC NameN-[1-(2,5-dimethoxyphenyl)ethyl]-2-iodo-4-methylbenzamide
SMILESCOc1ccc(OC)c(C(C)NC(=O)c2ccc(C)cc2I)c1
InChIInChI=1S/C18H20INO3/c1-11-5-7-14(16(19)9-11)18(21)20-12(2)15-10-13(22-3)6-8-17(15)23-4/h5-10,12H,1-4H3,(H,20,21)
InChIKeyCKHFBESEJXMLDS-UHFFFAOYSA-N
XLogP4.11
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.27
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4-dimethoxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 17467082
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-iodobenzamide
CID 7366697
N-[1-(2,5-dimethoxyphenyl)ethyl]-2,5-dimethoxybenzamide
CID 18116626
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2,4,5-trimethylbenzamide
CID 100712170
5-chloro-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-methoxybenzamide
CID 39854287
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-3,4-dimethylbenzamide
CID 9477021
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-methoxy-3-methylbenzamide
CID 133160272
N-[1-(2,5-dimethoxyphenyl)ethyl]-2,3,4,5-tetrafluorobenzamide
CID 43031434
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-iodo-1H-pyrazole-5-carboxamide
CID 19479909
2-chloro-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 26009266
N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2-hydroxy-4-methoxybenzamide
CID 112836868
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-fluorobenzamide
CID 880770

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethoxyphenyl)ethyl]-2-iodo-4-methylbenzamide?
The IUPAC name of N-[1-(2,5-dimethoxyphenyl)ethyl]-2-iodo-4-methylbenzamide (CID 133164699) is N-[1-(2,5-dimethoxyphenyl)ethyl]-2-iodo-4-methylbenzamide.
What is the SMILES notation for N-[1-(2,5-dimethoxyphenyl)ethyl]-2-iodo-4-methylbenzamide?
The canonical SMILES for N-[1-(2,5-dimethoxyphenyl)ethyl]-2-iodo-4-methylbenzamide is COc1ccc(OC)c(C(C)NC(=O)c2ccc(C)cc2I)c1.
What is the InChIKey of N-[1-(2,5-dimethoxyphenyl)ethyl]-2-iodo-4-methylbenzamide?
The InChIKey is CKHFBESEJXMLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20INO3/c1-11-5-7-14(16(19)9-11)18(21)20-12(2)15-10-13(22-3)6-8-17(15)23-4/h5-10,12H,1-4H3,(H,20,21).
What are the key properties of N-[1-(2,5-dimethoxyphenyl)ethyl]-2-iodo-4-methylbenzamide?
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-iodo-4-methylbenzamide has a molecular weight of 425.27 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethoxyphenyl)ethyl]-2-iodo-4-methylbenzamide is sourced from PubChem (CID 133164699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).