3-(2,2-difluoroethoxy)-N-ethyl-4-iodobenzamide

C11H12F2INO2 — CID 146034942

IUPAC3-(2,2-difluoroethoxy)-N-ethyl-4-iodobenzamide
SMILESCCNC(=O)c1ccc(I)c(OCC(F)F)c1
InChIInChI=1S/C11H12F2INO2/c1-2-15-11(16)7-3-4-8(14)9(5-7)17-6-10(12)13/h3-5,10H,2,6H2,1H3,(H,15,16)
InChIKeyKHVKYGIRVADITE-UHFFFAOYSA-N
MW355.12 g/mol
LogP2.68
Rot. Bonds5

About 3-(2,2-difluoroethoxy)-N-ethyl-4-iodobenzamide

3-(2,2-difluoroethoxy)-N-ethyl-4-iodobenzamide (PubChem CID 146034942) has the molecular formula C11H12F2INO2 and a molecular weight of 355.12 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-N-ethyl-4-iodobenzamide.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-N-ethyl-4-iodobenzamide
PubChem CID146034942
Molecular FormulaC11H12F2INO2
Molecular Weight355.12 g/mol
Exact Mass354.99
IUPAC Name3-(2,2-difluoroethoxy)-N-ethyl-4-iodobenzamide
SMILESCCNC(=O)c1ccc(I)c(OCC(F)F)c1
InChIInChI=1S/C11H12F2INO2/c1-2-15-11(16)7-3-4-8(14)9(5-7)17-6-10(12)13/h3-5,10H,2,6H2,1H3,(H,15,16)
InChIKeyKHVKYGIRVADITE-UHFFFAOYSA-N
XLogP2.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.12
LogP ≤ 52.68
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

3-(2,2-difluoroethoxy)-4-iodo-N-(2-methoxyethyl)benzamide
CID 146034948
N-ethyl-4-iodo-3-(2,2,2-trifluoroethoxy)benzamide
CID 67216334
3-bromo-N-ethyl-4-(2-methylpropoxy)benzamide
CID 17351708
1-[3-(difluoromethoxy)-4-iodophenyl]propan-1-one
CID 134622430
3-chloro-N-(2,2-difluoroethyl)-4-iodobenzamide
CID 103737133
N-ethyl-4-fluoro-3-hydroxybenzamide
CID 130057561
3-(difluoromethoxy)-N-[[4-(ethylcarbamoyl)phenyl]methyl]-4-methoxybenzamide
CID 87001161
N-ethyl-3-hydroxy-4-methoxybenzamide
CID 79600193
N-[2-(ethylamino)-2-oxoethyl]-3-hydroxy-4-iodobenzamide
CID 113434653
methyl 3-(2,2-difluoroethoxy)-4-sulfanylbenzoate
CID 150876746
3-chloro-N-ethyl-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]benzamide
CID 14853026
N-ethyl-4-(2-methoxyethoxy)benzamide
CID 15943034

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-N-ethyl-4-iodobenzamide?
The IUPAC name of 3-(2,2-difluoroethoxy)-N-ethyl-4-iodobenzamide (CID 146034942) is 3-(2,2-difluoroethoxy)-N-ethyl-4-iodobenzamide.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-N-ethyl-4-iodobenzamide?
The canonical SMILES for 3-(2,2-difluoroethoxy)-N-ethyl-4-iodobenzamide is CCNC(=O)c1ccc(I)c(OCC(F)F)c1.
What is the InChIKey of 3-(2,2-difluoroethoxy)-N-ethyl-4-iodobenzamide?
The InChIKey is KHVKYGIRVADITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2INO2/c1-2-15-11(16)7-3-4-8(14)9(5-7)17-6-10(12)13/h3-5,10H,2,6H2,1H3,(H,15,16).
What are the key properties of 3-(2,2-difluoroethoxy)-N-ethyl-4-iodobenzamide?
3-(2,2-difluoroethoxy)-N-ethyl-4-iodobenzamide has a molecular weight of 355.12 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-N-ethyl-4-iodobenzamide is sourced from PubChem (CID 146034942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).