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

C13H6ClF3INO — CID 103766916

IUPACN-(4-chloro-2-iodophenyl)-2,3,4-trifluorobenzamide
SMILESO=C(Nc1ccc(Cl)cc1I)c1ccc(F)c(F)c1F
InChIInChI=1S/C13H6ClF3INO/c14-6-1-4-10(9(18)5-6)19-13(20)7-2-3-8(15)12(17)11(7)16/h1-5H,(H,19,20)
InChIKeyZPVDPXHOZPFRFQ-UHFFFAOYSA-N
MW411.55 g/mol
LogP4.61
Rot. Bonds2

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

N-(4-chloro-2-iodophenyl)-2,3,4-trifluorobenzamide (PubChem CID 103766916) has the molecular formula C13H6ClF3INO and a molecular weight of 411.55 g/mol. Its IUPAC name is N-(4-chloro-2-iodophenyl)-2,3,4-trifluorobenzamide.

Molecular Properties

Compound NameN-(4-chloro-2-iodophenyl)-2,3,4-trifluorobenzamide
PubChem CID103766916
Molecular FormulaC13H6ClF3INO
Molecular Weight411.55 g/mol
Exact Mass410.91
IUPAC NameN-(4-chloro-2-iodophenyl)-2,3,4-trifluorobenzamide
SMILESO=C(Nc1ccc(Cl)cc1I)c1ccc(F)c(F)c1F
InChIInChI=1S/C13H6ClF3INO/c14-6-1-4-10(9(18)5-6)19-13(20)7-2-3-8(15)12(17)11(7)16/h1-5H,(H,19,20)
InChIKeyZPVDPXHOZPFRFQ-UHFFFAOYSA-N
XLogP4.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-(4-chloro-2-iodophenyl)-2,3-difluorobenzamide
CID 103766879
N-(2-bromo-4-chlorophenyl)-2,3,4-trifluorobenzamide
CID 81024059
N-(4-chloro-2-iodophenyl)-2,3-difluoropyridine-4-carboxamide
CID 107470498
5-chloro-N-(4-chloro-2-iodophenyl)-2-iodobenzamide
CID 114030741
4-chloro-N-(4-fluoro-2-iodophenyl)-2-hydroxybenzamide
CID 79766720
N-(4-chloro-2-iodophenyl)-2,3-dihydroxybenzamide
CID 107626246
2-amino-N-(4-chloro-2-iodophenyl)-5-fluorobenzamide
CID 107624102
N-(4-chloro-2-iodophenyl)-2,4-dimethylbenzamide
CID 113257834
4-amino-2-chloro-N-(4-chloro-2-iodophenyl)benzamide
CID 107624122
N-(2,5-difluorophenyl)-2,3,4-trifluorobenzamide
CID 28560277
N-(4-chloro-2-iodophenyl)-2-fluoro-5-nitrobenzamide
CID 103766905
2,3-dichloro-N-(4-chloro-2-iodophenyl)benzamide
CID 103766641

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-iodophenyl)-2,3,4-trifluorobenzamide?
The IUPAC name of N-(4-chloro-2-iodophenyl)-2,3,4-trifluorobenzamide (CID 103766916) is N-(4-chloro-2-iodophenyl)-2,3,4-trifluorobenzamide.
What is the SMILES notation for N-(4-chloro-2-iodophenyl)-2,3,4-trifluorobenzamide?
The canonical SMILES for N-(4-chloro-2-iodophenyl)-2,3,4-trifluorobenzamide is O=C(Nc1ccc(Cl)cc1I)c1ccc(F)c(F)c1F.
What is the InChIKey of N-(4-chloro-2-iodophenyl)-2,3,4-trifluorobenzamide?
The InChIKey is ZPVDPXHOZPFRFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6ClF3INO/c14-6-1-4-10(9(18)5-6)19-13(20)7-2-3-8(15)12(17)11(7)16/h1-5H,(H,19,20).
What are the key properties of N-(4-chloro-2-iodophenyl)-2,3,4-trifluorobenzamide?
N-(4-chloro-2-iodophenyl)-2,3,4-trifluorobenzamide has a molecular weight of 411.55 g/mol, XLogP of 4.61, 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)-2,3,4-trifluorobenzamide is sourced from PubChem (CID 103766916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).