N-(2,2-dimethoxyethyl)-3,5-difluorobenzamide

C11H13F2NO3 — CID 55025954

IUPACN-(2,2-dimethoxyethyl)-3,5-difluorobenzamide
SMILESCOC(CNC(=O)c1cc(F)cc(F)c1)OC
InChIInChI=1S/C11H13F2NO3/c1-16-10(17-2)6-14-11(15)7-3-8(12)5-9(13)4-7/h3-5,10H,6H2,1-2H3,(H,14,15)
InChIKeyUICHHDUOUXMIPG-UHFFFAOYSA-N
MW245.22 g/mol
LogP1.31
Rot. Bonds5

About N-(2,2-dimethoxyethyl)-3,5-difluorobenzamide

N-(2,2-dimethoxyethyl)-3,5-difluorobenzamide (PubChem CID 55025954) has the molecular formula C11H13F2NO3 and a molecular weight of 245.22 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-3,5-difluorobenzamide.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-3,5-difluorobenzamide
PubChem CID55025954
Molecular FormulaC11H13F2NO3
Molecular Weight245.22 g/mol
Exact Mass245.09
IUPAC NameN-(2,2-dimethoxyethyl)-3,5-difluorobenzamide
SMILESCOC(CNC(=O)c1cc(F)cc(F)c1)OC
InChIInChI=1S/C11H13F2NO3/c1-16-10(17-2)6-14-11(15)7-3-8(12)5-9(13)4-7/h3-5,10H,6H2,1-2H3,(H,14,15)
InChIKeyUICHHDUOUXMIPG-UHFFFAOYSA-N
XLogP1.31
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.22
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-[(3,5-difluorobenzoyl)amino]-2-methoxypropanoic acid
CID 106107464
methyl 2-chloro-3-[(3,5-difluorobenzoyl)amino]propanoate
CID 103492785
N-[(2R)-2-(ethylamino)propyl]-3,5-difluorobenzamide
CID 120653813
N-(2,2-dimethoxyethyl)-4-methylsulfanylbenzamide
CID 79214484
N-(2,2-dimethoxyethyl)-4-iodobenzamide
CID 10903782
N-(2-aminopentyl)-3,5-difluorobenzamide
CID 115737672
N-(2,2-dimethoxyethyl)-3-hydroxybenzamide
CID 60653076
4-bromo-N-(2,2-dimethoxyethyl)-2-fluorobenzamide
CID 61247809
N-(2,2-dimethoxyethyl)-4-fluoro-3-nitrobenzamide
CID 61249664
3-(difluoromethoxy)-N-(2,2-dimethoxyethyl)benzamide
CID 60653229
methyl 3,5-difluorobenzoate
CID 2775360
3,5-difluoro-N-(2-oxopropyl)benzamide
CID 64997120

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)-3,5-difluorobenzamide?
The IUPAC name of N-(2,2-dimethoxyethyl)-3,5-difluorobenzamide (CID 55025954) is N-(2,2-dimethoxyethyl)-3,5-difluorobenzamide.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-3,5-difluorobenzamide?
The canonical SMILES for N-(2,2-dimethoxyethyl)-3,5-difluorobenzamide is COC(CNC(=O)c1cc(F)cc(F)c1)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)-3,5-difluorobenzamide?
The InChIKey is UICHHDUOUXMIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO3/c1-16-10(17-2)6-14-11(15)7-3-8(12)5-9(13)4-7/h3-5,10H,6H2,1-2H3,(H,14,15).
What are the key properties of N-(2,2-dimethoxyethyl)-3,5-difluorobenzamide?
N-(2,2-dimethoxyethyl)-3,5-difluorobenzamide has a molecular weight of 245.22 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-3,5-difluorobenzamide is sourced from PubChem (CID 55025954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).