2,3-difluoro-N,N-bis(2-methoxyethyl)benzamide

C13H17F2NO3 — CID 62661170

IUPAC2,3-difluoro-N,N-bis(2-methoxyethyl)benzamide
SMILESCOCCN(CCOC)C(=O)c1cccc(F)c1F
InChIInChI=1S/C13H17F2NO3/c1-18-8-6-16(7-9-19-2)13(17)10-4-3-5-11(14)12(10)15/h3-5H,6-9H2,1-2H3
InChIKeyYSTHVFOFVIDZTF-UHFFFAOYSA-N
MW273.28 g/mol
LogP1.70
Rot. Bonds7

About 2,3-difluoro-N,N-bis(2-methoxyethyl)benzamide

2,3-difluoro-N,N-bis(2-methoxyethyl)benzamide (PubChem CID 62661170) has the molecular formula C13H17F2NO3 and a molecular weight of 273.28 g/mol. Its IUPAC name is 2,3-difluoro-N,N-bis(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name2,3-difluoro-N,N-bis(2-methoxyethyl)benzamide
PubChem CID62661170
Molecular FormulaC13H17F2NO3
Molecular Weight273.28 g/mol
Exact Mass273.12
IUPAC Name2,3-difluoro-N,N-bis(2-methoxyethyl)benzamide
SMILESCOCCN(CCOC)C(=O)c1cccc(F)c1F
InChIInChI=1S/C13H17F2NO3/c1-18-8-6-16(7-9-19-2)13(17)10-4-3-5-11(14)12(10)15/h3-5H,6-9H2,1-2H3
InChIKeyYSTHVFOFVIDZTF-UHFFFAOYSA-N
XLogP1.70
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[(2,3-difluorobenzoyl)-(2-methoxyethyl)amino]acetate
CID 60620709
2-fluoro-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide
CID 54915998
3-chloro-2-fluoro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzamide
CID 115902215
methyl 3-[(3-chloro-2-fluorobenzoyl)-(2-methoxyethyl)amino]propanoate
CID 80999485
N-(3-aminopropyl)-2-fluoro-N-(2-methoxyethyl)benzamide
CID 55173242
2,3-difluoro-N-(3-methoxypropyl)benzamide
CID 62650844
2-chloro-6-fluoro-N,N-bis(2-methoxyethyl)benzamide
CID 51074979
N-(2-aminoethyl)-2,3-difluoro-N-propylbenzamide
CID 62649951
2-[(3-bromo-2-fluorobenzoyl)-(2-methoxyethyl)amino]acetic acid
CID 107949094
2-hydroxy-N,N-bis(2-methoxyethyl)-3-methylbenzamide
CID 60653742
2-methoxy-N,N-bis(2-methoxyethyl)benzamide
CID 51072625
2-ethylsulfonyl-N,N-bis(2-methoxyethyl)benzamide
CID 55435906

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N,N-bis(2-methoxyethyl)benzamide?
The IUPAC name of 2,3-difluoro-N,N-bis(2-methoxyethyl)benzamide (CID 62661170) is 2,3-difluoro-N,N-bis(2-methoxyethyl)benzamide.
What is the SMILES notation for 2,3-difluoro-N,N-bis(2-methoxyethyl)benzamide?
The canonical SMILES for 2,3-difluoro-N,N-bis(2-methoxyethyl)benzamide is COCCN(CCOC)C(=O)c1cccc(F)c1F.
What is the InChIKey of 2,3-difluoro-N,N-bis(2-methoxyethyl)benzamide?
The InChIKey is YSTHVFOFVIDZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO3/c1-18-8-6-16(7-9-19-2)13(17)10-4-3-5-11(14)12(10)15/h3-5H,6-9H2,1-2H3.
What are the key properties of 2,3-difluoro-N,N-bis(2-methoxyethyl)benzamide?
2,3-difluoro-N,N-bis(2-methoxyethyl)benzamide has a molecular weight of 273.28 g/mol, XLogP of 1.70, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N,N-bis(2-methoxyethyl)benzamide is sourced from PubChem (CID 62661170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).