N-(2-cyano-4-fluorophenyl)-4-iodobenzamide

C14H8FIN2O — CID 79952957

IUPACN-(2-cyano-4-fluorophenyl)-4-iodobenzamide
SMILESN#Cc1cc(F)ccc1NC(=O)c1ccc(I)cc1
InChIInChI=1S/C14H8FIN2O/c15-11-3-6-13(10(7-11)8-17)18-14(19)9-1-4-12(16)5-2-9/h1-7H,(H,18,19)
InChIKeyQEVVTFXEVBBZHJ-UHFFFAOYSA-N
MW366.13 g/mol
LogP3.55
Rot. Bonds2

About N-(2-cyano-4-fluorophenyl)-4-iodobenzamide

N-(2-cyano-4-fluorophenyl)-4-iodobenzamide (PubChem CID 79952957) has the molecular formula C14H8FIN2O and a molecular weight of 366.13 g/mol. Its IUPAC name is N-(2-cyano-4-fluorophenyl)-4-iodobenzamide.

Molecular Properties

Compound NameN-(2-cyano-4-fluorophenyl)-4-iodobenzamide
PubChem CID79952957
Molecular FormulaC14H8FIN2O
Molecular Weight366.13 g/mol
Exact Mass365.97
IUPAC NameN-(2-cyano-4-fluorophenyl)-4-iodobenzamide
SMILESN#Cc1cc(F)ccc1NC(=O)c1ccc(I)cc1
InChIInChI=1S/C14H8FIN2O/c15-11-3-6-13(10(7-11)8-17)18-14(19)9-1-4-12(16)5-2-9/h1-7H,(H,18,19)
InChIKeyQEVVTFXEVBBZHJ-UHFFFAOYSA-N
XLogP3.55
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.13
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyano-4-fluorophenyl)-4-methylbenzamide
CID 79947423
4-chloro-N-(2-cyano-4-fluorophenyl)benzamide
CID 79946601
N-(2-cyano-4-fluorophenyl)-5-iodothiophene-3-carboxamide
CID 79954178
N-(4-amino-2-cyanophenyl)-4-iodobenzamide
CID 43548881
N-(4-fluoro-2-iodophenyl)-4-iodobenzamide
CID 79767050
3-chloro-N-(2-cyano-4-fluorophenyl)-4-fluorobenzamide
CID 81484638
3-chloro-N-(2-cyano-4-fluorophenyl)-4-hydroxybenzamide
CID 82015912
N-(2-cyano-4-fluorophenyl)furan-3-carboxamide
CID 79954360
N-(4-fluoro-2-methylphenyl)-4-iodobenzamide
CID 7980558
N-(2-cyano-4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 79954013
2-amino-N-(2-cyano-4-fluorophenyl)pyridine-4-carboxamide
CID 82685570
1-(2-cyano-4-fluorophenyl)-3-(2,4-difluorophenyl)urea
CID 115279853

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-4-fluorophenyl)-4-iodobenzamide?
The IUPAC name of N-(2-cyano-4-fluorophenyl)-4-iodobenzamide (CID 79952957) is N-(2-cyano-4-fluorophenyl)-4-iodobenzamide.
What is the SMILES notation for N-(2-cyano-4-fluorophenyl)-4-iodobenzamide?
The canonical SMILES for N-(2-cyano-4-fluorophenyl)-4-iodobenzamide is N#Cc1cc(F)ccc1NC(=O)c1ccc(I)cc1.
What is the InChIKey of N-(2-cyano-4-fluorophenyl)-4-iodobenzamide?
The InChIKey is QEVVTFXEVBBZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8FIN2O/c15-11-3-6-13(10(7-11)8-17)18-14(19)9-1-4-12(16)5-2-9/h1-7H,(H,18,19).
What are the key properties of N-(2-cyano-4-fluorophenyl)-4-iodobenzamide?
N-(2-cyano-4-fluorophenyl)-4-iodobenzamide has a molecular weight of 366.13 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-4-fluorophenyl)-4-iodobenzamide is sourced from PubChem (CID 79952957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).