2,6-difluoro-N-[2-(2-hydroxyethoxy)ethyl]-3-methylbenzamide

C12H15F2NO3 — CID 82816311

IUPAC2,6-difluoro-N-[2-(2-hydroxyethoxy)ethyl]-3-methylbenzamide
SMILESCc1ccc(F)c(C(=O)NCCOCCO)c1F
InChIInChI=1S/C12H15F2NO3/c1-8-2-3-9(13)10(11(8)14)12(17)15-4-6-18-7-5-16/h2-3,16H,4-7H2,1H3,(H,15,17)
InChIKeyNZJNRMQSHYIXNP-UHFFFAOYSA-N
MW259.25 g/mol
LogP1.01
Rot. Bonds6

About 2,6-difluoro-N-[2-(2-hydroxyethoxy)ethyl]-3-methylbenzamide

2,6-difluoro-N-[2-(2-hydroxyethoxy)ethyl]-3-methylbenzamide (PubChem CID 82816311) has the molecular formula C12H15F2NO3 and a molecular weight of 259.25 g/mol. Its IUPAC name is 2,6-difluoro-N-[2-(2-hydroxyethoxy)ethyl]-3-methylbenzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[2-(2-hydroxyethoxy)ethyl]-3-methylbenzamide
PubChem CID82816311
Molecular FormulaC12H15F2NO3
Molecular Weight259.25 g/mol
Exact Mass259.10
IUPAC Name2,6-difluoro-N-[2-(2-hydroxyethoxy)ethyl]-3-methylbenzamide
SMILESCc1ccc(F)c(C(=O)NCCOCCO)c1F
InChIInChI=1S/C12H15F2NO3/c1-8-2-3-9(13)10(11(8)14)12(17)15-4-6-18-7-5-16/h2-3,16H,4-7H2,1H3,(H,15,17)
InChIKeyNZJNRMQSHYIXNP-UHFFFAOYSA-N
XLogP1.01
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 ≤ 51.01
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

3-amino-2,6-difluoro-N-[2-(2-hydroxyethoxy)ethyl]benzamide
CID 79773667
2-[2-[(2,6-difluoro-3-methylbenzoyl)amino]ethoxy]acetic acid
CID 82815436
3-amino-2,6-difluoro-N-[3-(2-hydroxyethoxy)propyl]benzamide
CID 106308320
2,6-difluoro-N-(3-iodopropyl)-3-methylbenzamide
CID 114503969
4-fluoro-N-[2-(2-hydroxyethoxy)ethyl]-3-methoxybenzamide
CID 81284195
N-[2-(2-hydroxyethoxy)ethyl]-2,5-dimethylthiophene-3-carboxamide
CID 60682341
N-(3-chlorobutyl)-2,6-difluoro-3-methylbenzamide
CID 82818845
3-hydroxy-N-[2-(2-hydroxyethoxy)ethyl]-2-methylbenzamide
CID 82829209
3-fluoro-N-[2-(2-hydroxyethoxy)ethyl]pyridine-2-carboxamide
CID 110474765
3-fluoro-N-[2-(2-hydroxyethoxy)ethyl]benzamide
CID 60654478
5-fluoro-N-[3-(2-hydroxyethoxy)propyl]-2-methylbenzamide
CID 113364744
N-[2-ethyl-2-(hydroxymethyl)butyl]-2,6-difluoro-3-methylbenzamide
CID 103878793

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[2-(2-hydroxyethoxy)ethyl]-3-methylbenzamide?
The IUPAC name of 2,6-difluoro-N-[2-(2-hydroxyethoxy)ethyl]-3-methylbenzamide (CID 82816311) is 2,6-difluoro-N-[2-(2-hydroxyethoxy)ethyl]-3-methylbenzamide.
What is the SMILES notation for 2,6-difluoro-N-[2-(2-hydroxyethoxy)ethyl]-3-methylbenzamide?
The canonical SMILES for 2,6-difluoro-N-[2-(2-hydroxyethoxy)ethyl]-3-methylbenzamide is Cc1ccc(F)c(C(=O)NCCOCCO)c1F.
What is the InChIKey of 2,6-difluoro-N-[2-(2-hydroxyethoxy)ethyl]-3-methylbenzamide?
The InChIKey is NZJNRMQSHYIXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO3/c1-8-2-3-9(13)10(11(8)14)12(17)15-4-6-18-7-5-16/h2-3,16H,4-7H2,1H3,(H,15,17).
What are the key properties of 2,6-difluoro-N-[2-(2-hydroxyethoxy)ethyl]-3-methylbenzamide?
2,6-difluoro-N-[2-(2-hydroxyethoxy)ethyl]-3-methylbenzamide has a molecular weight of 259.25 g/mol, XLogP of 1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[2-(2-hydroxyethoxy)ethyl]-3-methylbenzamide is sourced from PubChem (CID 82816311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).