N-(2-fluoro-5-methoxyphenyl)-2-iodo-3-methylbenzamide

C15H13FINO2 — CID 103747463

IUPACN-(2-fluoro-5-methoxyphenyl)-2-iodo-3-methylbenzamide
SMILESCOc1ccc(F)c(NC(=O)c2cccc(C)c2I)c1
InChIInChI=1S/C15H13FINO2/c1-9-4-3-5-11(14(9)17)15(19)18-13-8-10(20-2)6-7-12(13)16/h3-8H,1-2H3,(H,18,19)
InChIKeyIEVAYMCPPGSMNU-UHFFFAOYSA-N
MW385.18 g/mol
LogP4.00
Rot. Bonds3

About N-(2-fluoro-5-methoxyphenyl)-2-iodo-3-methylbenzamide

N-(2-fluoro-5-methoxyphenyl)-2-iodo-3-methylbenzamide (PubChem CID 103747463) has the molecular formula C15H13FINO2 and a molecular weight of 385.18 g/mol. Its IUPAC name is N-(2-fluoro-5-methoxyphenyl)-2-iodo-3-methylbenzamide.

Molecular Properties

Compound NameN-(2-fluoro-5-methoxyphenyl)-2-iodo-3-methylbenzamide
PubChem CID103747463
Molecular FormulaC15H13FINO2
Molecular Weight385.18 g/mol
Exact Mass385.00
IUPAC NameN-(2-fluoro-5-methoxyphenyl)-2-iodo-3-methylbenzamide
SMILESCOc1ccc(F)c(NC(=O)c2cccc(C)c2I)c1
InChIInChI=1S/C15H13FINO2/c1-9-4-3-5-11(14(9)17)15(19)18-13-8-10(20-2)6-7-12(13)16/h3-8H,1-2H3,(H,18,19)
InChIKeyIEVAYMCPPGSMNU-UHFFFAOYSA-N
XLogP4.00
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.18
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2-chloro-N-(2-fluoro-5-methoxyphenyl)benzamide
CID 115930606
N-(2-fluoro-5-methoxyphenyl)-4-hydroxy-2-methylbenzamide
CID 103865750
N-(2-bromo-3-methylphenyl)-2-fluoro-4-methoxybenzamide
CID 104870934
N-(2-fluoro-5-methylphenyl)-2,4-dimethoxybenzamide
CID 16546475
2-bromo-6-fluoro-N-(2-fluoro-5-methoxyphenyl)benzamide
CID 115687168
N-[(2,4-dimethoxyphenyl)methyl]-2-iodo-3-methylbenzamide
CID 46453624
2-iodo-N-(5-iodo-2-methylphenyl)-3-methylbenzamide
CID 114257116
N-(4-chloro-3-fluorophenyl)-2-iodo-3-methylbenzamide
CID 47227866
2-iodo-3-methyl-N-(2-methylsulfanylphenyl)benzamide
CID 47188193
2-bromo-N-(5-bromo-2-fluorophenyl)-3-methylbenzamide
CID 103853459
2-bromo-N-(2,4-dimethoxyphenyl)-3-methylbenzamide
CID 103852740
N-(4-amino-2-methylphenyl)-2-iodo-3-methylbenzamide
CID 103807583

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-methoxyphenyl)-2-iodo-3-methylbenzamide?
The IUPAC name of N-(2-fluoro-5-methoxyphenyl)-2-iodo-3-methylbenzamide (CID 103747463) is N-(2-fluoro-5-methoxyphenyl)-2-iodo-3-methylbenzamide.
What is the SMILES notation for N-(2-fluoro-5-methoxyphenyl)-2-iodo-3-methylbenzamide?
The canonical SMILES for N-(2-fluoro-5-methoxyphenyl)-2-iodo-3-methylbenzamide is COc1ccc(F)c(NC(=O)c2cccc(C)c2I)c1.
What is the InChIKey of N-(2-fluoro-5-methoxyphenyl)-2-iodo-3-methylbenzamide?
The InChIKey is IEVAYMCPPGSMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FINO2/c1-9-4-3-5-11(14(9)17)15(19)18-13-8-10(20-2)6-7-12(13)16/h3-8H,1-2H3,(H,18,19).
What are the key properties of N-(2-fluoro-5-methoxyphenyl)-2-iodo-3-methylbenzamide?
N-(2-fluoro-5-methoxyphenyl)-2-iodo-3-methylbenzamide has a molecular weight of 385.18 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-methoxyphenyl)-2-iodo-3-methylbenzamide is sourced from PubChem (CID 103747463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).