N-(2-chloro-1-methoxyethyl)-2,6-difluorobenzamide

C10H10ClF2NO2 — CID 10999433

IUPACN-(2-chloro-1-methoxyethyl)-2,6-difluorobenzamide
SMILESCOC(CCl)NC(=O)c1c(F)cccc1F
InChIInChI=1S/C10H10ClF2NO2/c1-16-8(5-11)14-10(15)9-6(12)3-2-4-7(9)13/h2-4,8H,5H2,1H3,(H,14,15)
InChIKeyAAHAEEHWYSJDFV-UHFFFAOYSA-N
MW249.64 g/mol
LogP1.91
Rot. Bonds4

About N-(2-chloro-1-methoxyethyl)-2,6-difluorobenzamide

N-(2-chloro-1-methoxyethyl)-2,6-difluorobenzamide (PubChem CID 10999433) has the molecular formula C10H10ClF2NO2 and a molecular weight of 249.64 g/mol. Its IUPAC name is N-(2-chloro-1-methoxyethyl)-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-(2-chloro-1-methoxyethyl)-2,6-difluorobenzamide
PubChem CID10999433
Molecular FormulaC10H10ClF2NO2
Molecular Weight249.64 g/mol
Exact Mass249.04
IUPAC NameN-(2-chloro-1-methoxyethyl)-2,6-difluorobenzamide
SMILESCOC(CCl)NC(=O)c1c(F)cccc1F
InChIInChI=1S/C10H10ClF2NO2/c1-16-8(5-11)14-10(15)9-6(12)3-2-4-7(9)13/h2-4,8H,5H2,1H3,(H,14,15)
InChIKeyAAHAEEHWYSJDFV-UHFFFAOYSA-N
XLogP1.91
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.64
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1-chloro-3-methylbutan-2-yl)-2,6-difluorobenzamide
CID 114305446
N-(1-chloro-3-methoxypropan-2-yl)-2-fluoro-6-hydroxybenzamide
CID 106183536
N-(5-chloropentan-2-yl)-2,6-difluorobenzamide
CID 114305791
2-chloro-N-(1-chloro-3-methoxypropan-2-yl)-6-fluorobenzamide
CID 106183426
[(2S)-2-[(2,6-difluorobenzoyl)amino]-3-methoxy-3-oxopropyl] 2,6-difluorobenzoate
CID 22212268
diethyl 2-[(2,6-difluorobenzoyl)amino]propanedioate
CID 59587668
2,6-difluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
CID 79253084
2,6-difluoro-N-(3-oxopentan-2-yl)benzamide
CID 64991673
(2S)-2-[(2,6-difluorobenzoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107820162
(2R)-2-[(2,6-difluorobenzoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107820571
[(1R)-1-[(2,6-difluorobenzoyl)amino]ethyl]-trihydroxyboranuide
CID 53301829
[(1R)-1-[(2,6-difluorobenzoyl)amino]ethyl]boronic acid
CID 53324253

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-1-methoxyethyl)-2,6-difluorobenzamide?
The IUPAC name of N-(2-chloro-1-methoxyethyl)-2,6-difluorobenzamide (CID 10999433) is N-(2-chloro-1-methoxyethyl)-2,6-difluorobenzamide.
What is the SMILES notation for N-(2-chloro-1-methoxyethyl)-2,6-difluorobenzamide?
The canonical SMILES for N-(2-chloro-1-methoxyethyl)-2,6-difluorobenzamide is COC(CCl)NC(=O)c1c(F)cccc1F.
What is the InChIKey of N-(2-chloro-1-methoxyethyl)-2,6-difluorobenzamide?
The InChIKey is AAHAEEHWYSJDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF2NO2/c1-16-8(5-11)14-10(15)9-6(12)3-2-4-7(9)13/h2-4,8H,5H2,1H3,(H,14,15).
What are the key properties of N-(2-chloro-1-methoxyethyl)-2,6-difluorobenzamide?
N-(2-chloro-1-methoxyethyl)-2,6-difluorobenzamide has a molecular weight of 249.64 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-1-methoxyethyl)-2,6-difluorobenzamide is sourced from PubChem (CID 10999433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).