(2R)-N-(2,6-dichlorophenyl)-2-(3-methoxyphenoxy)butanamide

C17H17Cl2NO3 — CID 28577552

IUPAC(2R)-N-(2,6-dichlorophenyl)-2-(3-methoxyphenoxy)butanamide
SMILESCC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C17H17Cl2NO3/c1-3-15(23-12-7-4-6-11(10-12)22-2)17(21)20-16-13(18)8-5-9-14(16)19/h4-10,15H,3H2,1-2H3,(H,20,21)/t15-/m1/s1
InChIKeyNQYMXCKBSRIACT-OAHLLOKOSA-N
MW354.23 g/mol
LogP4.80
Rot. Bonds6

About (2R)-N-(2,6-dichlorophenyl)-2-(3-methoxyphenoxy)butanamide

(2R)-N-(2,6-dichlorophenyl)-2-(3-methoxyphenoxy)butanamide (PubChem CID 28577552) has the molecular formula C17H17Cl2NO3 and a molecular weight of 354.23 g/mol. Its IUPAC name is (2R)-N-(2,6-dichlorophenyl)-2-(3-methoxyphenoxy)butanamide.

Molecular Properties

Compound Name(2R)-N-(2,6-dichlorophenyl)-2-(3-methoxyphenoxy)butanamide
PubChem CID28577552
Molecular FormulaC17H17Cl2NO3
Molecular Weight354.23 g/mol
Exact Mass353.06
IUPAC Name(2R)-N-(2,6-dichlorophenyl)-2-(3-methoxyphenoxy)butanamide
SMILESCC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C17H17Cl2NO3/c1-3-15(23-12-7-4-6-11(10-12)22-2)17(21)20-16-13(18)8-5-9-14(16)19/h4-10,15H,3H2,1-2H3,(H,20,21)/t15-/m1/s1
InChIKeyNQYMXCKBSRIACT-OAHLLOKOSA-N
XLogP4.80
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.23
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(2,6-dichlorophenyl)-2-phenoxybutanamide
CID 7890128
N-(2,5-dichlorophenyl)-2-(3-methoxyphenoxy)butanamide
CID 46772626
(2R)-N-[(2-chlorophenyl)methyl]-2-(3-methoxyphenoxy)butanamide
CID 94019358
(2R)-N-[(2R)-butan-2-yl]-2-(3-methoxyphenoxy)butanamide
CID 38004454
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(3-methoxyphenoxy)butanamide
CID 92679526
2-(3-methoxyphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)butanamide
CID 132761053
(2R)-2-(3-methoxyphenoxy)-N-[(2R)-3-methylbutan-2-yl]butanamide
CID 100569169
2-(3-methoxyphenoxy)-N-(3-methylbutan-2-yl)butanamide
CID 133250034
(2R)-2-(3-methoxyphenoxy)-N-(2-methoxyphenyl)butanamide
CID 94027055
(2R)-2-(3-methoxyphenoxy)-N-[4-(trifluoromethyl)phenyl]butanamide
CID 92681503
N-(3-methoxyphenyl)-2-phenoxybutanamide
CID 3831473
(2S)-N-(2,3-dimethylphenyl)-2-(3-methoxyphenoxy)butanamide
CID 93488485

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2,6-dichlorophenyl)-2-(3-methoxyphenoxy)butanamide?
The IUPAC name of (2R)-N-(2,6-dichlorophenyl)-2-(3-methoxyphenoxy)butanamide (CID 28577552) is (2R)-N-(2,6-dichlorophenyl)-2-(3-methoxyphenoxy)butanamide.
What is the SMILES notation for (2R)-N-(2,6-dichlorophenyl)-2-(3-methoxyphenoxy)butanamide?
The canonical SMILES for (2R)-N-(2,6-dichlorophenyl)-2-(3-methoxyphenoxy)butanamide is CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1c(Cl)cccc1Cl.
What is the InChIKey of (2R)-N-(2,6-dichlorophenyl)-2-(3-methoxyphenoxy)butanamide?
The InChIKey is NQYMXCKBSRIACT-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H17Cl2NO3/c1-3-15(23-12-7-4-6-11(10-12)22-2)17(21)20-16-13(18)8-5-9-14(16)19/h4-10,15H,3H2,1-2H3,(H,20,21)/t15-/m1/s1.
What are the key properties of (2R)-N-(2,6-dichlorophenyl)-2-(3-methoxyphenoxy)butanamide?
(2R)-N-(2,6-dichlorophenyl)-2-(3-methoxyphenoxy)butanamide has a molecular weight of 354.23 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2,6-dichlorophenyl)-2-(3-methoxyphenoxy)butanamide is sourced from PubChem (CID 28577552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).