4-chloro-N-[2-(2,2-difluoroethoxy)ethyl]-2-hydroxybenzamide

C11H12ClF2NO3 — CID 103097023

IUPAC4-chloro-N-[2-(2,2-difluoroethoxy)ethyl]-2-hydroxybenzamide
SMILESO=C(NCCOCC(F)F)c1ccc(Cl)cc1O
InChIInChI=1S/C11H12ClF2NO3/c12-7-1-2-8(9(16)5-7)11(17)15-3-4-18-6-10(13)14/h1-2,5,10,16H,3-4,6H2,(H,15,17)
InChIKeyAZIZZJYOGVFXKP-UHFFFAOYSA-N
MW279.67 g/mol
LogP2.06
Rot. Bonds6

About 4-chloro-N-[2-(2,2-difluoroethoxy)ethyl]-2-hydroxybenzamide

4-chloro-N-[2-(2,2-difluoroethoxy)ethyl]-2-hydroxybenzamide (PubChem CID 103097023) has the molecular formula C11H12ClF2NO3 and a molecular weight of 279.67 g/mol. Its IUPAC name is 4-chloro-N-[2-(2,2-difluoroethoxy)ethyl]-2-hydroxybenzamide.

Molecular Properties

Compound Name4-chloro-N-[2-(2,2-difluoroethoxy)ethyl]-2-hydroxybenzamide
PubChem CID103097023
Molecular FormulaC11H12ClF2NO3
Molecular Weight279.67 g/mol
Exact Mass279.05
IUPAC Name4-chloro-N-[2-(2,2-difluoroethoxy)ethyl]-2-hydroxybenzamide
SMILESO=C(NCCOCC(F)F)c1ccc(Cl)cc1O
InChIInChI=1S/C11H12ClF2NO3/c12-7-1-2-8(9(16)5-7)11(17)15-3-4-18-6-10(13)14/h1-2,5,10,16H,3-4,6H2,(H,15,17)
InChIKeyAZIZZJYOGVFXKP-UHFFFAOYSA-N
XLogP2.06
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.67
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-hydroxy-N-(3-hydroxy-4-methoxybutyl)benzamide
CID 113343606
5-bromo-N-[2-(2,2-difluoroethoxy)ethyl]-2-hydroxybenzamide
CID 103097013
2,4-dibromo-N-[2-(2,2-difluoroethoxy)ethyl]benzamide
CID 103082574
4-chloro-2-hydroxy-N-(3-methoxypropyl)benzamide
CID 43090061
N-(2-bromoethyl)-4-chloro-2-hydroxybenzamide
CID 114307488
4-chloro-N-(2-cyclopentyloxyethyl)-2-hydroxybenzamide
CID 55151514
2-chloro-N-[2-(2,2-difluoroethoxy)ethyl]-5-nitrobenzamide
CID 103082387
4-chloro-2-hydroxy-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide
CID 115577293
4-chloro-N-[3-(cyclopropylmethoxy)propyl]-2-hydroxybenzamide
CID 103606116
4-amino-3,5-dichloro-N-[2-(2,2-difluoroethoxy)ethyl]benzamide
CID 103099439
2-bromo-N-[2-(2,2-difluoroethoxy)ethyl]-5-methylbenzamide
CID 103082770
4-chloro-N-(2-chloropropyl)-2-hydroxybenzamide
CID 114296442

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(2,2-difluoroethoxy)ethyl]-2-hydroxybenzamide?
The IUPAC name of 4-chloro-N-[2-(2,2-difluoroethoxy)ethyl]-2-hydroxybenzamide (CID 103097023) is 4-chloro-N-[2-(2,2-difluoroethoxy)ethyl]-2-hydroxybenzamide.
What is the SMILES notation for 4-chloro-N-[2-(2,2-difluoroethoxy)ethyl]-2-hydroxybenzamide?
The canonical SMILES for 4-chloro-N-[2-(2,2-difluoroethoxy)ethyl]-2-hydroxybenzamide is O=C(NCCOCC(F)F)c1ccc(Cl)cc1O.
What is the InChIKey of 4-chloro-N-[2-(2,2-difluoroethoxy)ethyl]-2-hydroxybenzamide?
The InChIKey is AZIZZJYOGVFXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF2NO3/c12-7-1-2-8(9(16)5-7)11(17)15-3-4-18-6-10(13)14/h1-2,5,10,16H,3-4,6H2,(H,15,17).
What are the key properties of 4-chloro-N-[2-(2,2-difluoroethoxy)ethyl]-2-hydroxybenzamide?
4-chloro-N-[2-(2,2-difluoroethoxy)ethyl]-2-hydroxybenzamide has a molecular weight of 279.67 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(2,2-difluoroethoxy)ethyl]-2-hydroxybenzamide is sourced from PubChem (CID 103097023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).