N-(2,2-difluoro-3-hydroxypropyl)-2-ethoxybenzamide

C12H15F2NO3 — CID 113462770

IUPACN-(2,2-difluoro-3-hydroxypropyl)-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)NCC(F)(F)CO
InChIInChI=1S/C12H15F2NO3/c1-2-18-10-6-4-3-5-9(10)11(17)15-7-12(13,14)8-16/h3-6,16H,2,7-8H2,1H3,(H,15,17)
InChIKeyQELXZSRZJLVPQP-UHFFFAOYSA-N
MW259.25 g/mol
LogP1.44
Rot. Bonds6

About N-(2,2-difluoro-3-hydroxypropyl)-2-ethoxybenzamide

N-(2,2-difluoro-3-hydroxypropyl)-2-ethoxybenzamide (PubChem CID 113462770) has the molecular formula C12H15F2NO3 and a molecular weight of 259.25 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-2-ethoxybenzamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-2-ethoxybenzamide
PubChem CID113462770
Molecular FormulaC12H15F2NO3
Molecular Weight259.25 g/mol
Exact Mass259.10
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)NCC(F)(F)CO
InChIInChI=1S/C12H15F2NO3/c1-2-18-10-6-4-3-5-9(10)11(17)15-7-12(13,14)8-16/h3-6,16H,2,7-8H2,1H3,(H,15,17)
InChIKeyQELXZSRZJLVPQP-UHFFFAOYSA-N
XLogP1.44
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.25
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-difluoro-3-hydroxypropyl)-2-methoxybenzamide
CID 104857085
ethane;2-ethoxy-N-(2-hydroxy-2-methylpropyl)benzamide
CID 142472938
3-amino-N-(2,2-difluoro-3-hydroxypropyl)-2-ethoxybenzamide
CID 106164172
N-(2-amino-2-ethylbutyl)-2-ethoxybenzamide
CID 81484030
N-(3-amino-2,2-dimethylpropyl)-2-ethoxybenzamide
CID 115365704
ethyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 4056517
2-ethoxy-N-(2-hydroxyethyl)benzamide
CID 4088522
2-ethoxy-N-(2-hydroxy-2-phenylpropyl)benzamide
CID 121111925
N-(2,2-difluoro-3-hydroxypropyl)-2,3-dimethoxybenzamide
CID 104857991
N-(2,2-difluoro-3-hydroxypropyl)-2-ethoxy-6-nitrobenzamide
CID 106168192
2-ethoxy-N-(3-hydroxy-2,2,4-trimethylpentyl)benzamide
CID 109380671
2-ethoxy-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide
CID 103712220

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-2-ethoxybenzamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-2-ethoxybenzamide (CID 113462770) is N-(2,2-difluoro-3-hydroxypropyl)-2-ethoxybenzamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-2-ethoxybenzamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-2-ethoxybenzamide is CCOc1ccccc1C(=O)NCC(F)(F)CO.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-2-ethoxybenzamide?
The InChIKey is QELXZSRZJLVPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO3/c1-2-18-10-6-4-3-5-9(10)11(17)15-7-12(13,14)8-16/h3-6,16H,2,7-8H2,1H3,(H,15,17).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-2-ethoxybenzamide?
N-(2,2-difluoro-3-hydroxypropyl)-2-ethoxybenzamide has a molecular weight of 259.25 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)-2-ethoxybenzamide is sourced from PubChem (CID 113462770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).