N-cyclohexyl-2,3-difluoro-5,6-diiodo-4-methylbenzamide

C14H15F2I2NO — CID 137427140

IUPACN-cyclohexyl-2,3-difluoro-5,6-diiodo-4-methylbenzamide
SMILESCc1c(F)c(F)c(C(=O)NC2CCCCC2)c(I)c1I
InChIInChI=1S/C14H15F2I2NO/c1-7-10(15)11(16)9(13(18)12(7)17)14(20)19-8-5-3-2-4-6-8/h8H,2-6H2,1H3,(H,19,20)
InChIKeyZTAQDZDVKXWBGF-UHFFFAOYSA-N
MW505.08 g/mol
LogP4.54
Rot. Bonds2

About N-cyclohexyl-2,3-difluoro-5,6-diiodo-4-methylbenzamide

N-cyclohexyl-2,3-difluoro-5,6-diiodo-4-methylbenzamide (PubChem CID 137427140) has the molecular formula C14H15F2I2NO and a molecular weight of 505.08 g/mol. Its IUPAC name is N-cyclohexyl-2,3-difluoro-5,6-diiodo-4-methylbenzamide.

Molecular Properties

Compound NameN-cyclohexyl-2,3-difluoro-5,6-diiodo-4-methylbenzamide
PubChem CID137427140
Molecular FormulaC14H15F2I2NO
Molecular Weight505.08 g/mol
Exact Mass504.92
IUPAC NameN-cyclohexyl-2,3-difluoro-5,6-diiodo-4-methylbenzamide
SMILESCc1c(F)c(F)c(C(=O)NC2CCCCC2)c(I)c1I
InChIInChI=1S/C14H15F2I2NO/c1-7-10(15)11(16)9(13(18)12(7)17)14(20)19-8-5-3-2-4-6-8/h8H,2-6H2,1H3,(H,19,20)
InChIKeyZTAQDZDVKXWBGF-UHFFFAOYSA-N
XLogP4.54
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.08
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-2,3,4,5,6-pentafluorobenzamide
CID 607051
N-cyclohexyl-3,4-difluoro-2,5-dimethylbenzamide
CID 17067316
5-chloro-N-cyclohexyl-2,3-difluoro-4-methylbenzamide
CID 17067296
2-amino-N-cyclohexyl-4,5-dimethylthiophene-3-carboxamide
CID 17371220
N-cycloheptyl-2-fluoro-3-methylbenzamide
CID 80719060
N-cyclopentyl-2,4,6-trimethylpyrimidine-5-carboxamide
CID 110848761
N-cyclopentyl-2-fluoro-4-hydroxy-6-methylbenzamide
CID 171905657
N-cyclooctyl-2-fluoro-6-hydroxybenzamide
CID 107015091
N-cycloheptyl-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 43582836
3-tert-butyl-N-cycloheptyl-5-methyl-1,2-oxazole-4-carboxamide
CID 110415381
N-cycloheptyl-1,4,6-trimethyl-2-oxopyridine-3-carboxamide
CID 110855496
N-cyclohexyl-2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide
CID 64593244

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2,3-difluoro-5,6-diiodo-4-methylbenzamide?
The IUPAC name of N-cyclohexyl-2,3-difluoro-5,6-diiodo-4-methylbenzamide (CID 137427140) is N-cyclohexyl-2,3-difluoro-5,6-diiodo-4-methylbenzamide.
What is the SMILES notation for N-cyclohexyl-2,3-difluoro-5,6-diiodo-4-methylbenzamide?
The canonical SMILES for N-cyclohexyl-2,3-difluoro-5,6-diiodo-4-methylbenzamide is Cc1c(F)c(F)c(C(=O)NC2CCCCC2)c(I)c1I.
What is the InChIKey of N-cyclohexyl-2,3-difluoro-5,6-diiodo-4-methylbenzamide?
The InChIKey is ZTAQDZDVKXWBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2I2NO/c1-7-10(15)11(16)9(13(18)12(7)17)14(20)19-8-5-3-2-4-6-8/h8H,2-6H2,1H3,(H,19,20).
What are the key properties of N-cyclohexyl-2,3-difluoro-5,6-diiodo-4-methylbenzamide?
N-cyclohexyl-2,3-difluoro-5,6-diiodo-4-methylbenzamide has a molecular weight of 505.08 g/mol, XLogP of 4.54, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2,3-difluoro-5,6-diiodo-4-methylbenzamide is sourced from PubChem (CID 137427140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).