3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-methylbenzamide

C14H10F3IN2O — CID 122438576

IUPAC3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-methylbenzamide
SMILESCNC(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1F
InChIInChI=1S/C14H10F3IN2O/c1-19-14(21)8-3-4-9(15)12(17)13(8)20-11-5-2-7(18)6-10(11)16/h2-6,20H,1H3,(H,19,21)
InChIKeyWFMOCUXMSBKEJK-UHFFFAOYSA-N
MW406.15 g/mol
LogP3.81
Rot. Bonds3

About 3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-methylbenzamide

3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-methylbenzamide (PubChem CID 122438576) has the molecular formula C14H10F3IN2O and a molecular weight of 406.15 g/mol. Its IUPAC name is 3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-methylbenzamide.

Molecular Properties

Compound Name3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-methylbenzamide
PubChem CID122438576
Molecular FormulaC14H10F3IN2O
Molecular Weight406.15 g/mol
Exact Mass405.98
IUPAC Name3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-methylbenzamide
SMILESCNC(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1F
InChIInChI=1S/C14H10F3IN2O/c1-19-14(21)8-3-4-9(15)12(17)13(8)20-11-5-2-7(18)6-10(11)16/h2-6,20H,1H3,(H,19,21)
InChIKeyWFMOCUXMSBKEJK-UHFFFAOYSA-N
XLogP3.81
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.15
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,4-difluoro-2-(2-fluoro-4-methylanilino)-N-methylbenzamide
CID 143223174
3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-[(2-methylpropan-2-yl)oxy]benzamide
CID 167361757
N-(2,3-dihydroxypropyl)-3,4-difluoro-2-(2-fluoro-4-iodoanilino)benzamide
CID 175276663
3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-(3-hydroxypentoxy)benzamide
CID 22286512
1-[3,4-difluoro-2-(4-iodo-2-methylanilino)phenyl]ethanone
CID 23526715
2,3,3-trideuterio-3-[[3,4-difluoro-2-(2-fluoro-4-iodoanilino)benzoyl]amino]oxy-2-hydroxypropanoic acid
CID 169445374
3,4-difluoro-2-(2-fluoro-4-methylanilino)-N-hydroxybenzamide
CID 143223156
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)oxy]-3,4-difluoro-2-(2-fluoro-4-iodoanilino)benzamide
CID 10229197
N-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)benzoyl]-N-hydroxyazetidine-3-carboxamide
CID 87589073
(2,3,4,5,6-pentafluorophenyl) 3,4,5-trifluoro-2-(2-fluoro-4-iodoanilino)benzoate
CID 23398481
6-[[3,4-difluoro-2-(2-fluoro-4-iodoanilino)benzoyl]amino]oxy-2-methylhexanoic acid
CID 87690816
2-(azetidin-3-ylamino)-1-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]propan-1-one
CID 175047798

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-methylbenzamide?
The IUPAC name of 3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-methylbenzamide (CID 122438576) is 3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-methylbenzamide.
What is the SMILES notation for 3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-methylbenzamide?
The canonical SMILES for 3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-methylbenzamide is CNC(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1F.
What is the InChIKey of 3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-methylbenzamide?
The InChIKey is WFMOCUXMSBKEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3IN2O/c1-19-14(21)8-3-4-9(15)12(17)13(8)20-11-5-2-7(18)6-10(11)16/h2-6,20H,1H3,(H,19,21).
What are the key properties of 3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-methylbenzamide?
3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-methylbenzamide has a molecular weight of 406.15 g/mol, XLogP of 3.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-methylbenzamide is sourced from PubChem (CID 122438576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).