2-chloro-6-fluoro-N-(4-iodo-2-methylphenyl)benzamide

C14H10ClFINO — CID 47099671

IUPAC2-chloro-6-fluoro-N-(4-iodo-2-methylphenyl)benzamide
SMILESCc1cc(I)ccc1NC(=O)c1c(F)cccc1Cl
InChIInChI=1S/C14H10ClFINO/c1-8-7-9(17)5-6-12(8)18-14(19)13-10(15)3-2-4-11(13)16/h2-7H,1H3,(H,18,19)
InChIKeyUNAINICGCQZPIA-UHFFFAOYSA-N
MW389.60 g/mol
LogP4.64
Rot. Bonds2

About 2-chloro-6-fluoro-N-(4-iodo-2-methylphenyl)benzamide

2-chloro-6-fluoro-N-(4-iodo-2-methylphenyl)benzamide (PubChem CID 47099671) has the molecular formula C14H10ClFINO and a molecular weight of 389.60 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-(4-iodo-2-methylphenyl)benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-(4-iodo-2-methylphenyl)benzamide
PubChem CID47099671
Molecular FormulaC14H10ClFINO
Molecular Weight389.60 g/mol
Exact Mass388.95
IUPAC Name2-chloro-6-fluoro-N-(4-iodo-2-methylphenyl)benzamide
SMILESCc1cc(I)ccc1NC(=O)c1c(F)cccc1Cl
InChIInChI=1S/C14H10ClFINO/c1-8-7-9(17)5-6-12(8)18-14(19)13-10(15)3-2-4-11(13)16/h2-7H,1H3,(H,18,19)
InChIKeyUNAINICGCQZPIA-UHFFFAOYSA-N
XLogP4.64
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.60
LogP ≤ 54.64
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-(5-bromo-4-fluoro-2-methylphenyl)-2-chloro-6-fluorobenzamide
CID 103274912
N-(2-bromo-5-chloro-4-methylphenyl)-2-chloro-6-fluorobenzamide
CID 104724195
N'-(2-chlorophenyl)-N-(4-iodo-2-methylphenyl)oxamide
CID 108500263
2-chloro-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-6-fluorobenzamide
CID 7482972
N-(4-amino-5-chloro-2-methylphenyl)-2,6-difluorobenzamide
CID 104667512
2-chloro-6-fluoro-N-(3-hydroxy-4-methylphenyl)benzamide
CID 64793467
4-fluoro-N-(4-iodo-2-methylphenyl)-3-methylbenzamide
CID 63213134
2-chloro-N-(2-chloro-4-cyanophenyl)-6-fluorobenzamide
CID 103811173
2-chloro-N-(2,5-difluoro-4-methoxyphenyl)-6-fluorobenzamide
CID 122143687
2-bromo-N-(2,4-dimethylphenyl)-6-fluorobenzamide
CID 113250689
2-chloro-N-(2-cyano-4-fluorophenyl)-6-fluorobenzamide
CID 82016640
2-chloro-6-fluoro-N-[2-(2-methylanilino)-2-oxoethyl]benzamide
CID 112996056

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-(4-iodo-2-methylphenyl)benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-(4-iodo-2-methylphenyl)benzamide (CID 47099671) is 2-chloro-6-fluoro-N-(4-iodo-2-methylphenyl)benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-(4-iodo-2-methylphenyl)benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-(4-iodo-2-methylphenyl)benzamide is Cc1cc(I)ccc1NC(=O)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-6-fluoro-N-(4-iodo-2-methylphenyl)benzamide?
The InChIKey is UNAINICGCQZPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFINO/c1-8-7-9(17)5-6-12(8)18-14(19)13-10(15)3-2-4-11(13)16/h2-7H,1H3,(H,18,19).
What are the key properties of 2-chloro-6-fluoro-N-(4-iodo-2-methylphenyl)benzamide?
2-chloro-6-fluoro-N-(4-iodo-2-methylphenyl)benzamide has a molecular weight of 389.60 g/mol, XLogP of 4.64, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-(4-iodo-2-methylphenyl)benzamide is sourced from PubChem (CID 47099671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).