2-chloro-6-fluoro-N-[(2-iodophenyl)carbamoyl]benzamide

C14H9ClFIN2O2 — CID 4052856

IUPAC2-chloro-6-fluoro-N-[(2-iodophenyl)carbamoyl]benzamide
SMILESO=C(NC(=O)c1c(F)cccc1Cl)Nc1ccccc1I
InChIInChI=1S/C14H9ClFIN2O2/c15-8-4-3-5-9(16)12(8)13(20)19-14(21)18-11-7-2-1-6-10(11)17/h1-7H,(H2,18,19,20,21)
InChIKeyBQJSOSUEZDIXHL-UHFFFAOYSA-N
MW418.59 g/mol
LogP4.05
Rot. Bonds2

About 2-chloro-6-fluoro-N-[(2-iodophenyl)carbamoyl]benzamide

2-chloro-6-fluoro-N-[(2-iodophenyl)carbamoyl]benzamide (PubChem CID 4052856) has the molecular formula C14H9ClFIN2O2 and a molecular weight of 418.59 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[(2-iodophenyl)carbamoyl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[(2-iodophenyl)carbamoyl]benzamide
PubChem CID4052856
Molecular FormulaC14H9ClFIN2O2
Molecular Weight418.59 g/mol
Exact Mass417.94
IUPAC Name2-chloro-6-fluoro-N-[(2-iodophenyl)carbamoyl]benzamide
SMILESO=C(NC(=O)c1c(F)cccc1Cl)Nc1ccccc1I
InChIInChI=1S/C14H9ClFIN2O2/c15-8-4-3-5-9(16)12(8)13(20)19-14(21)18-11-7-2-1-6-10(11)17/h1-7H,(H2,18,19,20,21)
InChIKeyBQJSOSUEZDIXHL-UHFFFAOYSA-N
XLogP4.05
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.59
LogP ≤ 54.05
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-chloro-N-[[2-(cyclopropylmethylcarbamoyl)phenyl]carbamoyl]-6-fluorobenzamide
CID 2799401
2-chloro-N-[[4-(difluoromethyl)-2-fluorophenyl]carbamoyl]-6-fluorobenzamide
CID 69401733
2-chloro-6-fluoro-N-(1,2,2-trichloroethenylcarbamoyl)benzamide
CID 2780073
2,6-difluoro-N-[(2-fluoro-4-iodophenyl)carbamoyl]benzamide
CID 15592636
2-chloro-N-[(2,6-dichloro-4-cyanophenyl)carbamoyl]-6-fluorobenzamide
CID 2797979
N-[[2-chloro-4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]-2,6-difluorobenzamide
CID 18793633
2,6-dichloro-N-[(2-propylphenyl)carbamoyl]benzamide
CID 21197441
2-chloro-6-fluoro-N-(4-iodo-2-methylphenyl)benzamide
CID 47099671
2-chloro-6-fluoro-N-[(4-naphthalen-1-ylsulfanylphenyl)carbamoyl]benzamide
CID 57245040
2-chloro-6-fluoro-N-(2-propoxyphenyl)benzamide
CID 17395083
ethyl 2-[(2-chloro-6-fluorobenzoyl)amino]benzoate
CID 2394461
N-[[2-(difluoromethylsulfonyl)phenyl]carbamoyl]-2,6-difluorobenzamide
CID 3973664

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[(2-iodophenyl)carbamoyl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[(2-iodophenyl)carbamoyl]benzamide (CID 4052856) is 2-chloro-6-fluoro-N-[(2-iodophenyl)carbamoyl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[(2-iodophenyl)carbamoyl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[(2-iodophenyl)carbamoyl]benzamide is O=C(NC(=O)c1c(F)cccc1Cl)Nc1ccccc1I.
What is the InChIKey of 2-chloro-6-fluoro-N-[(2-iodophenyl)carbamoyl]benzamide?
The InChIKey is BQJSOSUEZDIXHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClFIN2O2/c15-8-4-3-5-9(16)12(8)13(20)19-14(21)18-11-7-2-1-6-10(11)17/h1-7H,(H2,18,19,20,21).
What are the key properties of 2-chloro-6-fluoro-N-[(2-iodophenyl)carbamoyl]benzamide?
2-chloro-6-fluoro-N-[(2-iodophenyl)carbamoyl]benzamide has a molecular weight of 418.59 g/mol, XLogP of 4.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-[(2-iodophenyl)carbamoyl]benzamide is sourced from PubChem (CID 4052856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).