N-(2-cyanopropyl)-2-fluoro-6-iodobenzamide

C11H10FIN2O — CID 71918653

IUPACN-(2-cyanopropyl)-2-fluoro-6-iodobenzamide
SMILESCC(C#N)CNC(=O)c1c(F)cccc1I
InChIInChI=1S/C11H10FIN2O/c1-7(5-14)6-15-11(16)10-8(12)3-2-4-9(10)13/h2-4,7H,6H2,1H3,(H,15,16)
InChIKeyXIBMNEPAQLNSEZ-UHFFFAOYSA-N
MW332.12 g/mol
LogP2.32
Rot. Bonds3

About N-(2-cyanopropyl)-2-fluoro-6-iodobenzamide

N-(2-cyanopropyl)-2-fluoro-6-iodobenzamide (PubChem CID 71918653) has the molecular formula C11H10FIN2O and a molecular weight of 332.12 g/mol. Its IUPAC name is N-(2-cyanopropyl)-2-fluoro-6-iodobenzamide.

Molecular Properties

Compound NameN-(2-cyanopropyl)-2-fluoro-6-iodobenzamide
PubChem CID71918653
Molecular FormulaC11H10FIN2O
Molecular Weight332.12 g/mol
Exact Mass331.98
IUPAC NameN-(2-cyanopropyl)-2-fluoro-6-iodobenzamide
SMILESCC(C#N)CNC(=O)c1c(F)cccc1I
InChIInChI=1S/C11H10FIN2O/c1-7(5-14)6-15-11(16)10-8(12)3-2-4-9(10)13/h2-4,7H,6H2,1H3,(H,15,16)
InChIKeyXIBMNEPAQLNSEZ-UHFFFAOYSA-N
XLogP2.32
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.12
LogP ≤ 52.32
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-[(2R)-2-(ethylamino)propyl]-2-fluoro-6-iodobenzamide;hydrochloride
CID 120650172
N-(2-cyanopropyl)-2,3,4,5,6-pentafluorobenzamide
CID 55102144
N-(2-aminopropyl)-2,6-difluorobenzamide
CID 63732942
4-amino-N-(2-cyanopropyl)-2-fluorobenzamide
CID 107794464
2-(2-cyanopropylcarbamoyl)benzoic acid
CID 62666773
2-fluoro-6-iodo-N-pent-3-enylbenzamide
CID 71918677
1-(2-fluoro-6-iodophenyl)ethanone
CID 20777138
N-(2-cyanopropyl)-2,4,5-trifluoro-3-hydroxybenzamide
CID 62651111
N-(2-cyanopropyl)-3-hydroxy-4-iodobenzamide
CID 104628357
2-fluoro-6-hydroxy-N-[(2R)-2-hydroxypropyl]benzamide
CID 104920570
2-fluoro-6-hydroxy-N-(2,3,3-trimethylbutyl)benzamide
CID 104917625
4-chloro-N-(2-cyanopropyl)-3-fluorobenzamide
CID 103876454

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropyl)-2-fluoro-6-iodobenzamide?
The IUPAC name of N-(2-cyanopropyl)-2-fluoro-6-iodobenzamide (CID 71918653) is N-(2-cyanopropyl)-2-fluoro-6-iodobenzamide.
What is the SMILES notation for N-(2-cyanopropyl)-2-fluoro-6-iodobenzamide?
The canonical SMILES for N-(2-cyanopropyl)-2-fluoro-6-iodobenzamide is CC(C#N)CNC(=O)c1c(F)cccc1I.
What is the InChIKey of N-(2-cyanopropyl)-2-fluoro-6-iodobenzamide?
The InChIKey is XIBMNEPAQLNSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FIN2O/c1-7(5-14)6-15-11(16)10-8(12)3-2-4-9(10)13/h2-4,7H,6H2,1H3,(H,15,16).
What are the key properties of N-(2-cyanopropyl)-2-fluoro-6-iodobenzamide?
N-(2-cyanopropyl)-2-fluoro-6-iodobenzamide has a molecular weight of 332.12 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropyl)-2-fluoro-6-iodobenzamide is sourced from PubChem (CID 71918653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).