2,3,4,5-tetrafluoro-N-(4-iodophenyl)benzamide

C13H6F4INO — CID 3448469

IUPAC2,3,4,5-tetrafluoro-N-(4-iodophenyl)benzamide
SMILESO=C(Nc1ccc(I)cc1)c1cc(F)c(F)c(F)c1F
InChIInChI=1S/C13H6F4INO/c14-9-5-8(10(15)12(17)11(9)16)13(20)19-7-3-1-6(18)2-4-7/h1-5H,(H,19,20)
InChIKeyIYNXQAUOHCLRKL-UHFFFAOYSA-N
MW395.09 g/mol
LogP4.10
Rot. Bonds2

About 2,3,4,5-tetrafluoro-N-(4-iodophenyl)benzamide

2,3,4,5-tetrafluoro-N-(4-iodophenyl)benzamide (PubChem CID 3448469) has the molecular formula C13H6F4INO and a molecular weight of 395.09 g/mol. Its IUPAC name is 2,3,4,5-tetrafluoro-N-(4-iodophenyl)benzamide.

Molecular Properties

Compound Name2,3,4,5-tetrafluoro-N-(4-iodophenyl)benzamide
PubChem CID3448469
Molecular FormulaC13H6F4INO
Molecular Weight395.09 g/mol
Exact Mass394.94
IUPAC Name2,3,4,5-tetrafluoro-N-(4-iodophenyl)benzamide
SMILESO=C(Nc1ccc(I)cc1)c1cc(F)c(F)c(F)c1F
InChIInChI=1S/C13H6F4INO/c14-9-5-8(10(15)12(17)11(9)16)13(20)19-7-3-1-6(18)2-4-7/h1-5H,(H,19,20)
InChIKeyIYNXQAUOHCLRKL-UHFFFAOYSA-N
XLogP4.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.09
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-anilinoanilino)phenyl]-2,3,4,5-tetrafluorobenzamide
CID 170144431
2,3,4,5-tetrafluoro-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 18208238
2,3,4,5-tetrafluoro-N-[3-[(2,3,4,5-tetrafluorobenzoyl)amino]naphthalen-2-yl]benzamide
CID 3686160
1-N,2-N-bis(4-iodophenyl)benzene-1,2-dicarboxamide
CID 2852267
2,3,4,5-tetrafluoro-N-[4-(4-nitrophenoxy)phenyl]benzamide
CID 88891604
N-(3,5-dimethoxyphenyl)-2,3,4,5-tetrafluorobenzamide
CID 7960826
2,3,4,5-tetrafluoro-N-[3-(trifluoromethyl)phenyl]benzamide
CID 4542565
3,5-difluoro-N-(4-iodophenyl)benzamide
CID 3874548
2,3,4,5-tetrafluoro-N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]benzamide
CID 18272971
1-N,3-N,5-N-tris(4-iodophenyl)benzene-1,3,5-tricarboxamide
CID 102258249
N-(4-fluorophenyl)-2,5-diiodobenzamide
CID 46495854
4-hydroxy-1-N,3-N-bis(4-iodophenyl)benzene-1,3-dicarboxamide
CID 86118799

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetrafluoro-N-(4-iodophenyl)benzamide?
The IUPAC name of 2,3,4,5-tetrafluoro-N-(4-iodophenyl)benzamide (CID 3448469) is 2,3,4,5-tetrafluoro-N-(4-iodophenyl)benzamide.
What is the SMILES notation for 2,3,4,5-tetrafluoro-N-(4-iodophenyl)benzamide?
The canonical SMILES for 2,3,4,5-tetrafluoro-N-(4-iodophenyl)benzamide is O=C(Nc1ccc(I)cc1)c1cc(F)c(F)c(F)c1F.
What is the InChIKey of 2,3,4,5-tetrafluoro-N-(4-iodophenyl)benzamide?
The InChIKey is IYNXQAUOHCLRKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6F4INO/c14-9-5-8(10(15)12(17)11(9)16)13(20)19-7-3-1-6(18)2-4-7/h1-5H,(H,19,20).
What are the key properties of 2,3,4,5-tetrafluoro-N-(4-iodophenyl)benzamide?
2,3,4,5-tetrafluoro-N-(4-iodophenyl)benzamide has a molecular weight of 395.09 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrafluoro-N-(4-iodophenyl)benzamide is sourced from PubChem (CID 3448469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).