2,6-difluoro-N-[(2-fluoro-4-iodophenyl)carbamoyl]benzamide

C14H8F3IN2O2 — CID 15592636

IUPAC2,6-difluoro-N-[(2-fluoro-4-iodophenyl)carbamoyl]benzamide
SMILESO=C(NC(=O)c1c(F)cccc1F)Nc1ccc(I)cc1F
InChIInChI=1S/C14H8F3IN2O2/c15-8-2-1-3-9(16)12(8)13(21)20-14(22)19-11-5-4-7(18)6-10(11)17/h1-6H,(H2,19,20,21,22)
InChIKeyMFBKWMILRWBESX-UHFFFAOYSA-N
MW420.13 g/mol
LogP3.67
Rot. Bonds2

About 2,6-difluoro-N-[(2-fluoro-4-iodophenyl)carbamoyl]benzamide

2,6-difluoro-N-[(2-fluoro-4-iodophenyl)carbamoyl]benzamide (PubChem CID 15592636) has the molecular formula C14H8F3IN2O2 and a molecular weight of 420.13 g/mol. Its IUPAC name is 2,6-difluoro-N-[(2-fluoro-4-iodophenyl)carbamoyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[(2-fluoro-4-iodophenyl)carbamoyl]benzamide
PubChem CID15592636
Molecular FormulaC14H8F3IN2O2
Molecular Weight420.13 g/mol
Exact Mass419.96
IUPAC Name2,6-difluoro-N-[(2-fluoro-4-iodophenyl)carbamoyl]benzamide
SMILESO=C(NC(=O)c1c(F)cccc1F)Nc1ccc(I)cc1F
InChIInChI=1S/C14H8F3IN2O2/c15-8-2-1-3-9(16)12(8)13(21)20-14(22)19-11-5-4-7(18)6-10(11)17/h1-6H,(H2,19,20,21,22)
InChIKeyMFBKWMILRWBESX-UHFFFAOYSA-N
XLogP3.67
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.13
LogP ≤ 53.67
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

2,6-difluoro-N-[[2-fluoro-4-(trifluoromethylsulfanyl)phenyl]carbamoyl]benzamide
CID 23034853
2,6-difluoro-N-[[2-fluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-ylsulfanyl)phenyl]carbamoyl]benzamide
CID 23034891
N-(2,4-difluorophenyl)-2,6-difluorobenzamide
CID 2796874
2,6-difluoro-N-[[2-fluoro-4-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)phenyl]carbamoyl]benzamide
CID 23034816
2,6-difluoro-N-[(2-fluoro-4-prop-2-ynylsulfanylphenyl)carbamoyl]benzamide
CID 87813330
N-[[2-chloro-4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]-2,6-difluorobenzamide
CID 18793633
2-chloro-N-[[4-(difluoromethyl)-2-fluorophenyl]carbamoyl]-6-fluorobenzamide
CID 69401733
2-fluoro-6-(2-fluoro-4-iodoanilino)benzoic acid
CID 169274158
2,6-difluoro-N-[[2-fluoro-4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]phenyl]carbamoyl]benzamide
CID 14823060
N-(2-fluoro-4-iodophenyl)-3-methylbenzamide
CID 17102075
2-chloro-6-fluoro-N-[(2-iodophenyl)carbamoyl]benzamide
CID 4052856
N-(2-fluoro-4-iodophenyl)-2-methylbenzamide
CID 17102074

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[(2-fluoro-4-iodophenyl)carbamoyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[(2-fluoro-4-iodophenyl)carbamoyl]benzamide (CID 15592636) is 2,6-difluoro-N-[(2-fluoro-4-iodophenyl)carbamoyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[(2-fluoro-4-iodophenyl)carbamoyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[(2-fluoro-4-iodophenyl)carbamoyl]benzamide is O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(I)cc1F.
What is the InChIKey of 2,6-difluoro-N-[(2-fluoro-4-iodophenyl)carbamoyl]benzamide?
The InChIKey is MFBKWMILRWBESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3IN2O2/c15-8-2-1-3-9(16)12(8)13(21)20-14(22)19-11-5-4-7(18)6-10(11)17/h1-6H,(H2,19,20,21,22).
What are the key properties of 2,6-difluoro-N-[(2-fluoro-4-iodophenyl)carbamoyl]benzamide?
2,6-difluoro-N-[(2-fluoro-4-iodophenyl)carbamoyl]benzamide has a molecular weight of 420.13 g/mol, XLogP of 3.67, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[(2-fluoro-4-iodophenyl)carbamoyl]benzamide is sourced from PubChem (CID 15592636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).