3-(2,2-difluoroethoxy)-4-iodo-N-(2-methoxyethyl)benzamide

C12H14F2INO3 — CID 146034948

IUPAC3-(2,2-difluoroethoxy)-4-iodo-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1ccc(I)c(OCC(F)F)c1
InChIInChI=1S/C12H14F2INO3/c1-18-5-4-16-12(17)8-2-3-9(15)10(6-8)19-7-11(13)14/h2-3,6,11H,4-5,7H2,1H3,(H,16,17)
InChIKeyQSCDNWGXMDVJKN-UHFFFAOYSA-N
MW385.15 g/mol
LogP2.31
Rot. Bonds7

About 3-(2,2-difluoroethoxy)-4-iodo-N-(2-methoxyethyl)benzamide

3-(2,2-difluoroethoxy)-4-iodo-N-(2-methoxyethyl)benzamide (PubChem CID 146034948) has the molecular formula C12H14F2INO3 and a molecular weight of 385.15 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-4-iodo-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-4-iodo-N-(2-methoxyethyl)benzamide
PubChem CID146034948
Molecular FormulaC12H14F2INO3
Molecular Weight385.15 g/mol
Exact Mass385.00
IUPAC Name3-(2,2-difluoroethoxy)-4-iodo-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1ccc(I)c(OCC(F)F)c1
InChIInChI=1S/C12H14F2INO3/c1-18-5-4-16-12(17)8-2-3-9(15)10(6-8)19-7-11(13)14/h2-3,6,11H,4-5,7H2,1H3,(H,16,17)
InChIKeyQSCDNWGXMDVJKN-UHFFFAOYSA-N
XLogP2.31
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.15
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2,2-difluoroethoxy)-N-ethyl-4-iodobenzamide
CID 146034942
3-iodo-N-(2-methoxyethyl)-4-(trifluoromethyl)benzamide
CID 172647473
4-amino-N-(3-hydroxy-4-methoxybutyl)-3-iodobenzamide
CID 112750978
3-amino-4-methoxy-N-(2-methoxyethyl)benzamide
CID 16772972
N-ethyl-4-iodo-3-(2,2,2-trifluoroethoxy)benzamide
CID 67216334
N-(2-methoxyethyl)-4-[6-[4-(2-methoxyethylcarbamoyl)phenyl]pyrimidin-4-yl]benzamide
CID 11080574
N,N-diethyl-4-iodo-3-(2-methoxyethoxy)benzamide
CID 67216621
3-iodo-N-[3-[(3-iodo-4-methoxybenzoyl)amino]propyl]-4-methoxybenzamide
CID 4981153
4-bromo-N-(3-chloro-4-methoxybutyl)-3-fluorobenzamide
CID 114163209
3-ethoxy-N-(2-methoxyethyl)-4-(2-phenoxyethoxy)benzamide
CID 35810602
4-chloro-N-(2-methoxyethyl)benzamide
CID 3457742
3-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)benzene-1,3-dicarboxamide
CID 109052487

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-4-iodo-N-(2-methoxyethyl)benzamide?
The IUPAC name of 3-(2,2-difluoroethoxy)-4-iodo-N-(2-methoxyethyl)benzamide (CID 146034948) is 3-(2,2-difluoroethoxy)-4-iodo-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-4-iodo-N-(2-methoxyethyl)benzamide?
The canonical SMILES for 3-(2,2-difluoroethoxy)-4-iodo-N-(2-methoxyethyl)benzamide is COCCNC(=O)c1ccc(I)c(OCC(F)F)c1.
What is the InChIKey of 3-(2,2-difluoroethoxy)-4-iodo-N-(2-methoxyethyl)benzamide?
The InChIKey is QSCDNWGXMDVJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2INO3/c1-18-5-4-16-12(17)8-2-3-9(15)10(6-8)19-7-11(13)14/h2-3,6,11H,4-5,7H2,1H3,(H,16,17).
What are the key properties of 3-(2,2-difluoroethoxy)-4-iodo-N-(2-methoxyethyl)benzamide?
3-(2,2-difluoroethoxy)-4-iodo-N-(2-methoxyethyl)benzamide has a molecular weight of 385.15 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-4-iodo-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 146034948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).