N-[(2,4-dimethoxyphenyl)methyl]-4-fluoro-2-iodo-N-methylbenzamide

C17H17FINO3 — CID 39707721

IUPACN-[(2,4-dimethoxyphenyl)methyl]-4-fluoro-2-iodo-N-methylbenzamide
SMILESCOc1ccc(CN(C)C(=O)c2ccc(F)cc2I)c(OC)c1
InChIInChI=1S/C17H17FINO3/c1-20(17(21)14-7-5-12(18)8-15(14)19)10-11-4-6-13(22-2)9-16(11)23-3/h4-9H,10H2,1-3H3
InChIKeyVPXWQTAKKKMFAL-UHFFFAOYSA-N
MW429.23 g/mol
LogP3.72
Rot. Bonds5

About N-[(2,4-dimethoxyphenyl)methyl]-4-fluoro-2-iodo-N-methylbenzamide

N-[(2,4-dimethoxyphenyl)methyl]-4-fluoro-2-iodo-N-methylbenzamide (PubChem CID 39707721) has the molecular formula C17H17FINO3 and a molecular weight of 429.23 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-4-fluoro-2-iodo-N-methylbenzamide.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-4-fluoro-2-iodo-N-methylbenzamide
PubChem CID39707721
Molecular FormulaC17H17FINO3
Molecular Weight429.23 g/mol
Exact Mass429.02
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-4-fluoro-2-iodo-N-methylbenzamide
SMILESCOc1ccc(CN(C)C(=O)c2ccc(F)cc2I)c(OC)c1
InChIInChI=1S/C17H17FINO3/c1-20(17(21)14-7-5-12(18)8-15(14)19)10-11-4-6-13(22-2)9-16(11)23-3/h4-9H,10H2,1-3H3
InChIKeyVPXWQTAKKKMFAL-UHFFFAOYSA-N
XLogP3.72
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.23
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxy-N-methylbenzamide
CID 18111734
2-bromo-N-[(2,4-dimethoxyphenyl)methyl]-5-fluoro-N-methylbenzamide
CID 18111776
N-[(2,4-dimethoxyphenyl)methyl]-2-ethoxy-N-methylbenzamide
CID 18111735
(2,4-dimethoxyphenyl)methyl-methylcarbamic acid
CID 115170960
(2,4-dimethoxyphenyl)methyl-methylcarbamothioic S-acid
CID 115170104
N-[(2,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 94687468
N'-[(2,4-dimethoxyphenyl)methyl]-N-(3-fluorophenyl)-N'-methyloxamide
CID 75416455
5-fluoro-2-hydroxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 79882419
N-[(2,4-dimethoxyphenyl)methyl]-N,2-dimethyl-3-nitrobenzamide
CID 18111743
N-[(2,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylpropanamide
CID 115140783
4-cyano-N-[(2,4-dimethoxyphenyl)methyl]-N-methylbenzamide
CID 27774409
N-[(2,4-dimethoxyphenyl)methyl]-N,6-dimethylpyridine-2-carboxamide
CID 32893963

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-4-fluoro-2-iodo-N-methylbenzamide?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-4-fluoro-2-iodo-N-methylbenzamide (CID 39707721) is N-[(2,4-dimethoxyphenyl)methyl]-4-fluoro-2-iodo-N-methylbenzamide.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-4-fluoro-2-iodo-N-methylbenzamide?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-4-fluoro-2-iodo-N-methylbenzamide is COc1ccc(CN(C)C(=O)c2ccc(F)cc2I)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-4-fluoro-2-iodo-N-methylbenzamide?
The InChIKey is VPXWQTAKKKMFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FINO3/c1-20(17(21)14-7-5-12(18)8-15(14)19)10-11-4-6-13(22-2)9-16(11)23-3/h4-9H,10H2,1-3H3.
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-4-fluoro-2-iodo-N-methylbenzamide?
N-[(2,4-dimethoxyphenyl)methyl]-4-fluoro-2-iodo-N-methylbenzamide has a molecular weight of 429.23 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-4-fluoro-2-iodo-N-methylbenzamide is sourced from PubChem (CID 39707721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).