(2S)-2-(3-chlorophenoxy)-N-(3,4-dimethylphenyl)butanamide

C18H20ClNO2 — CID 94020227

IUPAC(2S)-2-(3-chlorophenoxy)-N-(3,4-dimethylphenyl)butanamide
SMILESCC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(C)c(C)c1
InChIInChI=1S/C18H20ClNO2/c1-4-17(22-16-7-5-6-14(19)11-16)18(21)20-15-9-8-12(2)13(3)10-15/h5-11,17H,4H2,1-3H3,(H,20,21)/t17-/m0/s1
InChIKeyYRPUWZUVECCCHP-KRWDZBQOSA-N
MW317.82 g/mol
LogP4.75
Rot. Bonds5

About (2S)-2-(3-chlorophenoxy)-N-(3,4-dimethylphenyl)butanamide

(2S)-2-(3-chlorophenoxy)-N-(3,4-dimethylphenyl)butanamide (PubChem CID 94020227) has the molecular formula C18H20ClNO2 and a molecular weight of 317.82 g/mol. Its IUPAC name is (2S)-2-(3-chlorophenoxy)-N-(3,4-dimethylphenyl)butanamide.

Molecular Properties

Compound Name(2S)-2-(3-chlorophenoxy)-N-(3,4-dimethylphenyl)butanamide
PubChem CID94020227
Molecular FormulaC18H20ClNO2
Molecular Weight317.82 g/mol
Exact Mass317.12
IUPAC Name(2S)-2-(3-chlorophenoxy)-N-(3,4-dimethylphenyl)butanamide
SMILESCC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(C)c(C)c1
InChIInChI=1S/C18H20ClNO2/c1-4-17(22-16-7-5-6-14(19)11-16)18(21)20-15-9-8-12(2)13(3)10-15/h5-11,17H,4H2,1-3H3,(H,20,21)/t17-/m0/s1
InChIKeyYRPUWZUVECCCHP-KRWDZBQOSA-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)-2-(3-chlorophenoxy)-N-(3-methylphenyl)butanamide
CID 92671807
(2S)-N-(4-acetamidophenyl)-2-(3-chlorophenoxy)butanamide
CID 92681679
(2R)-2-(4-chloro-3-methylphenoxy)-N-(3,4-dimethylphenyl)butanamide
CID 99133224
(2R)-N-(4-chloro-2-methylphenyl)-2-(3-chlorophenoxy)butanamide
CID 28632431
4-[2-(3-chlorophenoxy)butanoylamino]benzoic acid
CID 43886456
(2R)-2-(3-chlorophenoxy)-N-(4-phenoxyphenyl)butanamide
CID 28576952
(2R)-N-(3-chloro-4-methylphenyl)-2-(3,4-dimethylphenoxy)butanamide
CID 94015863
methyl 4-[[(2R)-2-(3-chlorophenoxy)butanoyl]amino]benzoate
CID 28635665
2-(3-chlorophenoxy)-N-(2,5-dimethylphenyl)butanamide
CID 43905074
(2S)-N-(3,4-dichlorophenyl)-2-(3,4-dimethylphenoxy)butanamide
CID 92678020
(2S)-2-(3-chlorophenoxy)-N-(3-methylsulfanylphenyl)butanamide
CID 99952784
2-(3,4-dimethylphenoxy)-N-(3-propan-2-yloxyphenyl)butanamide
CID 43905698

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-chlorophenoxy)-N-(3,4-dimethylphenyl)butanamide?
The IUPAC name of (2S)-2-(3-chlorophenoxy)-N-(3,4-dimethylphenyl)butanamide (CID 94020227) is (2S)-2-(3-chlorophenoxy)-N-(3,4-dimethylphenyl)butanamide.
What is the SMILES notation for (2S)-2-(3-chlorophenoxy)-N-(3,4-dimethylphenyl)butanamide?
The canonical SMILES for (2S)-2-(3-chlorophenoxy)-N-(3,4-dimethylphenyl)butanamide is CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(C)c(C)c1.
What is the InChIKey of (2S)-2-(3-chlorophenoxy)-N-(3,4-dimethylphenyl)butanamide?
The InChIKey is YRPUWZUVECCCHP-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H20ClNO2/c1-4-17(22-16-7-5-6-14(19)11-16)18(21)20-15-9-8-12(2)13(3)10-15/h5-11,17H,4H2,1-3H3,(H,20,21)/t17-/m0/s1.
What are the key properties of (2S)-2-(3-chlorophenoxy)-N-(3,4-dimethylphenyl)butanamide?
(2S)-2-(3-chlorophenoxy)-N-(3,4-dimethylphenyl)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)-2-(3-chlorophenoxy)-N-(3,4-dimethylphenyl)butanamide is sourced from PubChem (CID 94020227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).