(2R)-2-(2-chlorophenoxy)-N-(2,6-difluorophenyl)butanamide

C16H14ClF2NO2 — CID 38002090

IUPAC(2R)-2-(2-chlorophenoxy)-N-(2,6-difluorophenyl)butanamide
SMILESCC[C@@H](Oc1ccccc1Cl)C(=O)Nc1c(F)cccc1F
InChIInChI=1S/C16H14ClF2NO2/c1-2-13(22-14-9-4-3-6-10(14)17)16(21)20-15-11(18)7-5-8-12(15)19/h3-9,13H,2H2,1H3,(H,20,21)/t13-/m1/s1
InChIKeyFHFXQTYGBUDZPO-CYBMUJFWSA-N
MW325.74 g/mol
LogP4.41
Rot. Bonds5

About (2R)-2-(2-chlorophenoxy)-N-(2,6-difluorophenyl)butanamide

(2R)-2-(2-chlorophenoxy)-N-(2,6-difluorophenyl)butanamide (PubChem CID 38002090) has the molecular formula C16H14ClF2NO2 and a molecular weight of 325.74 g/mol. Its IUPAC name is (2R)-2-(2-chlorophenoxy)-N-(2,6-difluorophenyl)butanamide.

Molecular Properties

Compound Name(2R)-2-(2-chlorophenoxy)-N-(2,6-difluorophenyl)butanamide
PubChem CID38002090
Molecular FormulaC16H14ClF2NO2
Molecular Weight325.74 g/mol
Exact Mass325.07
IUPAC Name(2R)-2-(2-chlorophenoxy)-N-(2,6-difluorophenyl)butanamide
SMILESCC[C@@H](Oc1ccccc1Cl)C(=O)Nc1c(F)cccc1F
InChIInChI=1S/C16H14ClF2NO2/c1-2-13(22-14-9-4-3-6-10(14)17)16(21)20-15-11(18)7-5-8-12(15)19/h3-9,13H,2H2,1H3,(H,20,21)/t13-/m1/s1
InChIKeyFHFXQTYGBUDZPO-CYBMUJFWSA-N
XLogP4.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.74
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-4-fluorophenyl)-2-(2-chlorophenoxy)butanamide
CID 43905967
(2R)-N-(2,6-dimethylphenyl)-2-(2-fluorophenoxy)butanamide
CID 40746709
(2R)-2-(2-chlorophenoxy)-N-(2,4,5-trichlorophenyl)butanamide
CID 28573433
(2R)-2-(2-chlorophenoxy)-N-(4-propan-2-ylphenyl)butanamide
CID 94027219
(2S)-2-(2-chlorophenoxy)-N-(2,4,5-trichlorophenyl)butanamide
CID 28573436
(2R)-N-[(2S)-butan-2-yl]-2-(2-chlorophenoxy)butanamide
CID 38013268
2-(2-chlorophenoxy)-N-(2-propan-2-yloxyphenyl)butanamide
CID 53284308
2-(2-chlorophenoxy)-N-(4-methoxyphenyl)butanamide
CID 43915879
(2R)-N-(2,6-dichlorophenyl)-2-phenoxybutanamide
CID 7890128
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(2-chlorophenoxy)butanamide
CID 30384530
2-[2-(2-chlorophenoxy)butanoylamino]benzamide
CID 53284900
2-(2-chlorophenoxy)butanoyl chloride
CID 13239462

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-chlorophenoxy)-N-(2,6-difluorophenyl)butanamide?
The IUPAC name of (2R)-2-(2-chlorophenoxy)-N-(2,6-difluorophenyl)butanamide (CID 38002090) is (2R)-2-(2-chlorophenoxy)-N-(2,6-difluorophenyl)butanamide.
What is the SMILES notation for (2R)-2-(2-chlorophenoxy)-N-(2,6-difluorophenyl)butanamide?
The canonical SMILES for (2R)-2-(2-chlorophenoxy)-N-(2,6-difluorophenyl)butanamide is CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1c(F)cccc1F.
What is the InChIKey of (2R)-2-(2-chlorophenoxy)-N-(2,6-difluorophenyl)butanamide?
The InChIKey is FHFXQTYGBUDZPO-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H14ClF2NO2/c1-2-13(22-14-9-4-3-6-10(14)17)16(21)20-15-11(18)7-5-8-12(15)19/h3-9,13H,2H2,1H3,(H,20,21)/t13-/m1/s1.
What are the key properties of (2R)-2-(2-chlorophenoxy)-N-(2,6-difluorophenyl)butanamide?
(2R)-2-(2-chlorophenoxy)-N-(2,6-difluorophenyl)butanamide has a molecular weight of 325.74 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-chlorophenoxy)-N-(2,6-difluorophenyl)butanamide is sourced from PubChem (CID 38002090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).