3-chloro-N-(2,2-difluoroethyl)-4-iodobenzamide

C9H7ClF2INO — CID 103737133

IUPAC3-chloro-N-(2,2-difluoroethyl)-4-iodobenzamide
SMILESO=C(NCC(F)F)c1ccc(I)c(Cl)c1
InChIInChI=1S/C9H7ClF2INO/c10-6-3-5(1-2-7(6)13)9(15)14-4-8(11)12/h1-3,8H,4H2,(H,14,15)
InChIKeyFWTGVLSAJQGXPQ-UHFFFAOYSA-N
MW345.51 g/mol
LogP2.94
Rot. Bonds3

About 3-chloro-N-(2,2-difluoroethyl)-4-iodobenzamide

3-chloro-N-(2,2-difluoroethyl)-4-iodobenzamide (PubChem CID 103737133) has the molecular formula C9H7ClF2INO and a molecular weight of 345.51 g/mol. Its IUPAC name is 3-chloro-N-(2,2-difluoroethyl)-4-iodobenzamide.

Molecular Properties

Compound Name3-chloro-N-(2,2-difluoroethyl)-4-iodobenzamide
PubChem CID103737133
Molecular FormulaC9H7ClF2INO
Molecular Weight345.51 g/mol
Exact Mass344.92
IUPAC Name3-chloro-N-(2,2-difluoroethyl)-4-iodobenzamide
SMILESO=C(NCC(F)F)c1ccc(I)c(Cl)c1
InChIInChI=1S/C9H7ClF2INO/c10-6-3-5(1-2-7(6)13)9(15)14-4-8(11)12/h1-3,8H,4H2,(H,14,15)
InChIKeyFWTGVLSAJQGXPQ-UHFFFAOYSA-N
XLogP2.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.51
LogP ≤ 52.94
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-chloro-N-(3,3-difluoro-2-hydroxypropyl)-4-iodobenzamide
CID 103770165
3-chloro-N-(2-hydroxybutyl)-4-iodobenzamide
CID 103209174
3-chloro-N-[(2R)-2-hydroxypropyl]-4-iodobenzamide
CID 103884729
N-(2-aminobutyl)-3-chloro-4-iodobenzamide
CID 103209439
3-chloro-4-iodo-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120829252
3-chloro-N-(4-chloro-2-methylbutyl)-4-iodobenzamide
CID 103212434
3-chloro-4-iodo-N-(3-iodopropyl)benzamide
CID 103212807
3-chloro-N-(3-hydroxybutyl)-4-iodobenzamide
CID 103736317
3-chloro-N-(4-hydroxybutyl)-4-iodobenzamide
CID 106842281
3-chloro-4-iodo-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 103805894
3-chloro-N-[2-(3,5-difluorophenyl)ethyl]-4-iodobenzamide
CID 103222067
3-chloro-N-(2,2-difluoroethyl)-4-(4-hydroxybut-1-ynyl)benzamide
CID 115408367

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2,2-difluoroethyl)-4-iodobenzamide?
The IUPAC name of 3-chloro-N-(2,2-difluoroethyl)-4-iodobenzamide (CID 103737133) is 3-chloro-N-(2,2-difluoroethyl)-4-iodobenzamide.
What is the SMILES notation for 3-chloro-N-(2,2-difluoroethyl)-4-iodobenzamide?
The canonical SMILES for 3-chloro-N-(2,2-difluoroethyl)-4-iodobenzamide is O=C(NCC(F)F)c1ccc(I)c(Cl)c1.
What is the InChIKey of 3-chloro-N-(2,2-difluoroethyl)-4-iodobenzamide?
The InChIKey is FWTGVLSAJQGXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF2INO/c10-6-3-5(1-2-7(6)13)9(15)14-4-8(11)12/h1-3,8H,4H2,(H,14,15).
What are the key properties of 3-chloro-N-(2,2-difluoroethyl)-4-iodobenzamide?
3-chloro-N-(2,2-difluoroethyl)-4-iodobenzamide has a molecular weight of 345.51 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2,2-difluoroethyl)-4-iodobenzamide is sourced from PubChem (CID 103737133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).