N-(4-chloro-2-iodophenyl)-2,3-difluorobenzamide

C13H7ClF2INO — CID 103766879

IUPACN-(4-chloro-2-iodophenyl)-2,3-difluorobenzamide
SMILESO=C(Nc1ccc(Cl)cc1I)c1cccc(F)c1F
InChIInChI=1S/C13H7ClF2INO/c14-7-4-5-11(10(17)6-7)18-13(19)8-2-1-3-9(15)12(8)16/h1-6H,(H,18,19)
InChIKeyURJIVKMZBFSLIQ-UHFFFAOYSA-N
MW393.56 g/mol
LogP4.48
Rot. Bonds2

About N-(4-chloro-2-iodophenyl)-2,3-difluorobenzamide

N-(4-chloro-2-iodophenyl)-2,3-difluorobenzamide (PubChem CID 103766879) has the molecular formula C13H7ClF2INO and a molecular weight of 393.56 g/mol. Its IUPAC name is N-(4-chloro-2-iodophenyl)-2,3-difluorobenzamide.

Molecular Properties

Compound NameN-(4-chloro-2-iodophenyl)-2,3-difluorobenzamide
PubChem CID103766879
Molecular FormulaC13H7ClF2INO
Molecular Weight393.56 g/mol
Exact Mass392.92
IUPAC NameN-(4-chloro-2-iodophenyl)-2,3-difluorobenzamide
SMILESO=C(Nc1ccc(Cl)cc1I)c1cccc(F)c1F
InChIInChI=1S/C13H7ClF2INO/c14-7-4-5-11(10(17)6-7)18-13(19)8-2-1-3-9(15)12(8)16/h1-6H,(H,18,19)
InChIKeyURJIVKMZBFSLIQ-UHFFFAOYSA-N
XLogP4.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.56
LogP ≤ 54.48
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-(4-chloro-2-iodophenyl)-2,3,4-trifluorobenzamide
CID 103766916
2,3-dichloro-N-(4-chloro-2-iodophenyl)benzamide
CID 103766641
N-(4-chloro-2-iodophenyl)-2,3-dihydroxybenzamide
CID 107626246
N-(4-chloro-2-iodophenyl)-2,3-difluoropyridine-4-carboxamide
CID 107470498
5-chloro-N-(4-chloro-2-iodophenyl)-2-iodobenzamide
CID 114030741
3-amino-N-(4-chloro-2-iodophenyl)-2-methylbenzamide
CID 107624186
N-(4-chloro-2-iodophenyl)-2-ethylbenzamide
CID 113268300
N-(2-chloro-4-methylphenyl)-2,3-difluorobenzamide
CID 62650999
N-(3,5-dichlorophenyl)-2,3-difluorobenzamide
CID 62650988
5-chloro-2-[(3-chloro-2-fluorobenzoyl)amino]benzoic acid
CID 81265567
2-amino-N-(4-chloro-2-iodophenyl)-5-fluorobenzamide
CID 107624102
N-(2-amino-4-chlorophenyl)-2-fluorobenzamide
CID 16773651

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-iodophenyl)-2,3-difluorobenzamide?
The IUPAC name of N-(4-chloro-2-iodophenyl)-2,3-difluorobenzamide (CID 103766879) is N-(4-chloro-2-iodophenyl)-2,3-difluorobenzamide.
What is the SMILES notation for N-(4-chloro-2-iodophenyl)-2,3-difluorobenzamide?
The canonical SMILES for N-(4-chloro-2-iodophenyl)-2,3-difluorobenzamide is O=C(Nc1ccc(Cl)cc1I)c1cccc(F)c1F.
What is the InChIKey of N-(4-chloro-2-iodophenyl)-2,3-difluorobenzamide?
The InChIKey is URJIVKMZBFSLIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClF2INO/c14-7-4-5-11(10(17)6-7)18-13(19)8-2-1-3-9(15)12(8)16/h1-6H,(H,18,19).
What are the key properties of N-(4-chloro-2-iodophenyl)-2,3-difluorobenzamide?
N-(4-chloro-2-iodophenyl)-2,3-difluorobenzamide has a molecular weight of 393.56 g/mol, XLogP of 4.48, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-iodophenyl)-2,3-difluorobenzamide is sourced from PubChem (CID 103766879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).