N-(2,6-difluorophenyl)-2-iodo-4-methylbenzamide

C14H10F2INO — CID 100525588

IUPACN-(2,6-difluorophenyl)-2-iodo-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2c(F)cccc2F)c(I)c1
InChIInChI=1S/C14H10F2INO/c1-8-5-6-9(12(17)7-8)14(19)18-13-10(15)3-2-4-11(13)16/h2-7H,1H3,(H,18,19)
InChIKeyHLKFRCUUXMNPRX-UHFFFAOYSA-N
MW373.14 g/mol
LogP4.13
Rot. Bonds2

About N-(2,6-difluorophenyl)-2-iodo-4-methylbenzamide

N-(2,6-difluorophenyl)-2-iodo-4-methylbenzamide (PubChem CID 100525588) has the molecular formula C14H10F2INO and a molecular weight of 373.14 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-2-iodo-4-methylbenzamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-2-iodo-4-methylbenzamide
PubChem CID100525588
Molecular FormulaC14H10F2INO
Molecular Weight373.14 g/mol
Exact Mass372.98
IUPAC NameN-(2,6-difluorophenyl)-2-iodo-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2c(F)cccc2F)c(I)c1
InChIInChI=1S/C14H10F2INO/c1-8-5-6-9(12(17)7-8)14(19)18-13-10(15)3-2-4-11(13)16/h2-7H,1H3,(H,18,19)
InChIKeyHLKFRCUUXMNPRX-UHFFFAOYSA-N
XLogP4.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.14
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2,6-difluorophenyl)-2-fluoro-5-methylbenzamide
CID 62508684
2-iodo-N-(4-iodophenyl)-4-methylbenzamide
CID 100523539
2,3-difluoro-N-(2-fluoro-4-methylphenyl)benzamide
CID 62648850
N-(2,6-difluorophenyl)-4-fluoro-2-hydroxybenzamide
CID 103888059
2-fluoro-N-(2-fluoro-6-methylphenyl)benzamide
CID 115909344
N-(3-ethoxyphenyl)-2-iodo-4-methylbenzamide
CID 100526929
2-bromo-4-chloro-N-(2,6-difluorophenyl)benzamide
CID 113257211
N-(2,4-dimethylphenyl)-2-fluorobenzamide
CID 579639
2-iodo-4-methyl-N-[3-(3-methylphenyl)propyl]benzamide
CID 100526826
dimethyl 5-[(2-iodo-4-methylbenzoyl)amino]benzene-1,3-dicarboxylate
CID 100525954
2-iodo-4-methyl-N-(2-phenylethyl)benzamide
CID 100523119
N-(2-chloro-4-methylphenyl)-2,3-difluorobenzamide
CID 62650999

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-2-iodo-4-methylbenzamide?
The IUPAC name of N-(2,6-difluorophenyl)-2-iodo-4-methylbenzamide (CID 100525588) is N-(2,6-difluorophenyl)-2-iodo-4-methylbenzamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-2-iodo-4-methylbenzamide?
The canonical SMILES for N-(2,6-difluorophenyl)-2-iodo-4-methylbenzamide is Cc1ccc(C(=O)Nc2c(F)cccc2F)c(I)c1.
What is the InChIKey of N-(2,6-difluorophenyl)-2-iodo-4-methylbenzamide?
The InChIKey is HLKFRCUUXMNPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2INO/c1-8-5-6-9(12(17)7-8)14(19)18-13-10(15)3-2-4-11(13)16/h2-7H,1H3,(H,18,19).
What are the key properties of N-(2,6-difluorophenyl)-2-iodo-4-methylbenzamide?
N-(2,6-difluorophenyl)-2-iodo-4-methylbenzamide has a molecular weight of 373.14 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-2-iodo-4-methylbenzamide is sourced from PubChem (CID 100525588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).