(2S)-N-(2,3-dichlorophenyl)-2-(2-methoxyphenoxy)butanamide

C17H17Cl2NO3 — CID 9173593

IUPAC(2S)-N-(2,3-dichlorophenyl)-2-(2-methoxyphenoxy)butanamide
SMILESCC[C@H](Oc1ccccc1OC)C(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C17H17Cl2NO3/c1-3-13(23-15-10-5-4-9-14(15)22-2)17(21)20-12-8-6-7-11(18)16(12)19/h4-10,13H,3H2,1-2H3,(H,20,21)/t13-/m0/s1
InChIKeyRAJJVWTZNIZGBR-ZDUSSCGKSA-N
MW354.23 g/mol
LogP4.80
Rot. Bonds6

About (2S)-N-(2,3-dichlorophenyl)-2-(2-methoxyphenoxy)butanamide

(2S)-N-(2,3-dichlorophenyl)-2-(2-methoxyphenoxy)butanamide (PubChem CID 9173593) has the molecular formula C17H17Cl2NO3 and a molecular weight of 354.23 g/mol. Its IUPAC name is (2S)-N-(2,3-dichlorophenyl)-2-(2-methoxyphenoxy)butanamide.

Molecular Properties

Compound Name(2S)-N-(2,3-dichlorophenyl)-2-(2-methoxyphenoxy)butanamide
PubChem CID9173593
Molecular FormulaC17H17Cl2NO3
Molecular Weight354.23 g/mol
Exact Mass353.06
IUPAC Name(2S)-N-(2,3-dichlorophenyl)-2-(2-methoxyphenoxy)butanamide
SMILESCC[C@H](Oc1ccccc1OC)C(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C17H17Cl2NO3/c1-3-13(23-15-10-5-4-9-14(15)22-2)17(21)20-12-8-6-7-11(18)16(12)19/h4-10,13H,3H2,1-2H3,(H,20,21)/t13-/m0/s1
InChIKeyRAJJVWTZNIZGBR-ZDUSSCGKSA-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-(2,3-dichlorophenyl)-2-naphthalen-1-yloxybutanamide
CID 28633203
2-(2-butan-2-ylphenoxy)-N-(2,3-dichlorophenyl)butanamide
CID 17150644
N-(2,3-dichlorophenyl)-2-(2,3-dimethylphenoxy)butanamide
CID 43885937
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(2-methoxyphenoxy)butanamide
CID 40746091
2-[[(2R)-2-(2-methoxyphenoxy)butanoyl]amino]benzamide
CID 99132395
(2R)-N-(2-chlorophenyl)-2-naphthalen-1-yloxybutanamide
CID 94019163
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(2-chlorophenoxy)butanamide
CID 30384530
N-(4-acetamidophenyl)-2-(2-methoxyphenoxy)butanamide
CID 17034114
2-[2-(2-chlorophenoxy)butanoylamino]benzamide
CID 53284900
N-(3,4-dichlorophenyl)-2-(2-methoxyphenoxy)butanamide
CID 17034086
2-(2-chlorophenoxy)-N-(2-propan-2-yloxyphenyl)butanamide
CID 53284308
(2R)-N-[(2-chlorophenyl)methyl]-2-(2-methoxyphenoxy)butanamide
CID 42082365

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,3-dichlorophenyl)-2-(2-methoxyphenoxy)butanamide?
The IUPAC name of (2S)-N-(2,3-dichlorophenyl)-2-(2-methoxyphenoxy)butanamide (CID 9173593) is (2S)-N-(2,3-dichlorophenyl)-2-(2-methoxyphenoxy)butanamide.
What is the SMILES notation for (2S)-N-(2,3-dichlorophenyl)-2-(2-methoxyphenoxy)butanamide?
The canonical SMILES for (2S)-N-(2,3-dichlorophenyl)-2-(2-methoxyphenoxy)butanamide is CC[C@H](Oc1ccccc1OC)C(=O)Nc1cccc(Cl)c1Cl.
What is the InChIKey of (2S)-N-(2,3-dichlorophenyl)-2-(2-methoxyphenoxy)butanamide?
The InChIKey is RAJJVWTZNIZGBR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H17Cl2NO3/c1-3-13(23-15-10-5-4-9-14(15)22-2)17(21)20-12-8-6-7-11(18)16(12)19/h4-10,13H,3H2,1-2H3,(H,20,21)/t13-/m0/s1.
What are the key properties of (2S)-N-(2,3-dichlorophenyl)-2-(2-methoxyphenoxy)butanamide?
(2S)-N-(2,3-dichlorophenyl)-2-(2-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 (2S)-N-(2,3-dichlorophenyl)-2-(2-methoxyphenoxy)butanamide is sourced from PubChem (CID 9173593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).