(2S)-N-(3-chlorophenyl)-2-(2,3-dimethylphenoxy)butanamide

C18H20ClNO2 — CID 92682220

IUPAC(2S)-N-(3-chlorophenyl)-2-(2,3-dimethylphenoxy)butanamide
SMILESCC[C@H](Oc1cccc(C)c1C)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C18H20ClNO2/c1-4-16(22-17-10-5-7-12(2)13(17)3)18(21)20-15-9-6-8-14(19)11-15/h5-11,16H,4H2,1-3H3,(H,20,21)/t16-/m0/s1
InChIKeyKTZBKDHZJKZDFS-INIZCTEOSA-N
MW317.82 g/mol
LogP4.75
Rot. Bonds5

About (2S)-N-(3-chlorophenyl)-2-(2,3-dimethylphenoxy)butanamide

(2S)-N-(3-chlorophenyl)-2-(2,3-dimethylphenoxy)butanamide (PubChem CID 92682220) has the molecular formula C18H20ClNO2 and a molecular weight of 317.82 g/mol. Its IUPAC name is (2S)-N-(3-chlorophenyl)-2-(2,3-dimethylphenoxy)butanamide.

Molecular Properties

Compound Name(2S)-N-(3-chlorophenyl)-2-(2,3-dimethylphenoxy)butanamide
PubChem CID92682220
Molecular FormulaC18H20ClNO2
Molecular Weight317.82 g/mol
Exact Mass317.12
IUPAC Name(2S)-N-(3-chlorophenyl)-2-(2,3-dimethylphenoxy)butanamide
SMILESCC[C@H](Oc1cccc(C)c1C)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C18H20ClNO2/c1-4-16(22-17-10-5-7-12(2)13(17)3)18(21)20-15-9-6-8-14(19)11-15/h5-11,16H,4H2,1-3H3,(H,20,21)/t16-/m0/s1
InChIKeyKTZBKDHZJKZDFS-INIZCTEOSA-N
XLogP4.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-(3-chloro-4-fluorophenyl)-2-(2,3-dimethylphenoxy)butanamide
CID 94012112
(2S)-2-(2,3-dimethylphenoxy)-N-(3-propan-2-yloxyphenyl)butanamide
CID 28575504
(2R)-N-(3-chlorophenyl)-2-(2,5-dimethylphenoxy)butanamide
CID 92681805
N-(3,4-dimethoxyphenyl)-2-(2,3-dimethylphenoxy)butanamide
CID 43910432
(2S)-2-(2,3-dimethylphenoxy)-N-(3-nitrophenyl)butanamide
CID 99958785
(2S)-N-(5-chloro-2-methoxyphenyl)-2-(2,3-dimethylphenoxy)butanamide
CID 28567804
(2S)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2,3-dimethylphenoxy)butanamide
CID 92672729
2-(2,3-dimethylphenoxy)-N-(2,6-dimethylphenyl)butanamide
CID 46770326
N-(4-bromophenyl)-2-(2,3-dimethylphenoxy)butanamide
CID 43885352
(2R)-2-(2,3-dimethylphenoxy)-N-(4-ethylphenyl)butanamide
CID 92679319
(2R)-N-(1,3-benzodioxol-5-yl)-2-(2,3-dimethylphenoxy)butanamide
CID 92647011
(2R)-N-(2,6-diethylphenyl)-2-(2,3-dimethylphenoxy)butanamide
CID 99955131

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-chlorophenyl)-2-(2,3-dimethylphenoxy)butanamide?
The IUPAC name of (2S)-N-(3-chlorophenyl)-2-(2,3-dimethylphenoxy)butanamide (CID 92682220) is (2S)-N-(3-chlorophenyl)-2-(2,3-dimethylphenoxy)butanamide.
What is the SMILES notation for (2S)-N-(3-chlorophenyl)-2-(2,3-dimethylphenoxy)butanamide?
The canonical SMILES for (2S)-N-(3-chlorophenyl)-2-(2,3-dimethylphenoxy)butanamide is CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of (2S)-N-(3-chlorophenyl)-2-(2,3-dimethylphenoxy)butanamide?
The InChIKey is KTZBKDHZJKZDFS-INIZCTEOSA-N. The full InChI is InChI=1S/C18H20ClNO2/c1-4-16(22-17-10-5-7-12(2)13(17)3)18(21)20-15-9-6-8-14(19)11-15/h5-11,16H,4H2,1-3H3,(H,20,21)/t16-/m0/s1.
What are the key properties of (2S)-N-(3-chlorophenyl)-2-(2,3-dimethylphenoxy)butanamide?
(2S)-N-(3-chlorophenyl)-2-(2,3-dimethylphenoxy)butanamide has a molecular weight of 317.82 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-chlorophenyl)-2-(2,3-dimethylphenoxy)butanamide is sourced from PubChem (CID 92682220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).