N-(1-bicyclo[1.1.1]pentanyl)-3-fluoro-5-iodobenzamide

C12H11FINO — CID 172646928

IUPACN-(1-bicyclo[1.1.1]pentanyl)-3-fluoro-5-iodobenzamide
SMILESO=C(NC12CC(C1)C2)c1cc(F)cc(I)c1
InChIInChI=1S/C12H11FINO/c13-9-1-8(2-10(14)3-9)11(16)15-12-4-7(5-12)6-12/h1-3,7H,4-6H2,(H,15,16)
InChIKeyLTLDBLGNWZNYIY-UHFFFAOYSA-N
MW331.13 g/mol
LogP2.71
Rot. Bonds2

About N-(1-bicyclo[1.1.1]pentanyl)-3-fluoro-5-iodobenzamide

N-(1-bicyclo[1.1.1]pentanyl)-3-fluoro-5-iodobenzamide (PubChem CID 172646928) has the molecular formula C12H11FINO and a molecular weight of 331.13 g/mol. Its IUPAC name is N-(1-bicyclo[1.1.1]pentanyl)-3-fluoro-5-iodobenzamide.

Molecular Properties

Compound NameN-(1-bicyclo[1.1.1]pentanyl)-3-fluoro-5-iodobenzamide
PubChem CID172646928
Molecular FormulaC12H11FINO
Molecular Weight331.13 g/mol
Exact Mass330.99
IUPAC NameN-(1-bicyclo[1.1.1]pentanyl)-3-fluoro-5-iodobenzamide
SMILESO=C(NC12CC(C1)C2)c1cc(F)cc(I)c1
InChIInChI=1S/C12H11FINO/c13-9-1-8(2-10(14)3-9)11(16)15-12-4-7(5-12)6-12/h1-3,7H,4-6H2,(H,15,16)
InChIKeyLTLDBLGNWZNYIY-UHFFFAOYSA-N
XLogP2.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.13
LogP ≤ 52.71
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

3-fluoro-5-iodo-N-(oxolan-3-yl)benzamide
CID 172647618
(3,3-difluoroazetidin-1-yl)-(3-fluoro-5-iodophenyl)methanone
CID 172647106
4-(1-bicyclo[1.1.1]pentanylcarbamoyl)benzoic acid
CID 178070536
1-N,3-N-bis(1-adamantyl)-5-aminobenzene-1,3-dicarboxamide
CID 57309710
N-(1-bicyclo[1.1.1]pentanyl)-3-bromo-5-(trifluoromethyl)benzamide
CID 172646989
N-(1-bicyclo[1.1.1]pentanyl)-3-bromo-5-methylbenzamide
CID 166001396
N-[1-(1-adamantyl)ethyl]-3,5-difluorobenzamide
CID 3958773
N-(1-adamantyl)-5-fluoro-2-hydroxybenzamide
CID 115298818
N-(1-bicyclo[1.1.1]pentanyl)-4-iodo-3-methoxybenzamide
CID 172646951
N-(1-bicyclo[1.1.1]pentanyl)-5-bromo-2,4-difluorobenzamide
CID 172646980
azetidin-1-yl-(3-fluoro-5-iodophenyl)methanone
CID 58290710
N-(1-adamantyl)-4-fluoro-2-methylbenzamide
CID 115745078

Frequently Asked Questions

What is the IUPAC name of N-(1-bicyclo[1.1.1]pentanyl)-3-fluoro-5-iodobenzamide?
The IUPAC name of N-(1-bicyclo[1.1.1]pentanyl)-3-fluoro-5-iodobenzamide (CID 172646928) is N-(1-bicyclo[1.1.1]pentanyl)-3-fluoro-5-iodobenzamide.
What is the SMILES notation for N-(1-bicyclo[1.1.1]pentanyl)-3-fluoro-5-iodobenzamide?
The canonical SMILES for N-(1-bicyclo[1.1.1]pentanyl)-3-fluoro-5-iodobenzamide is O=C(NC12CC(C1)C2)c1cc(F)cc(I)c1.
What is the InChIKey of N-(1-bicyclo[1.1.1]pentanyl)-3-fluoro-5-iodobenzamide?
The InChIKey is LTLDBLGNWZNYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FINO/c13-9-1-8(2-10(14)3-9)11(16)15-12-4-7(5-12)6-12/h1-3,7H,4-6H2,(H,15,16).
What are the key properties of N-(1-bicyclo[1.1.1]pentanyl)-3-fluoro-5-iodobenzamide?
N-(1-bicyclo[1.1.1]pentanyl)-3-fluoro-5-iodobenzamide has a molecular weight of 331.13 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bicyclo[1.1.1]pentanyl)-3-fluoro-5-iodobenzamide is sourced from PubChem (CID 172646928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).