(2R)-N-(3-chlorophenyl)-2-(2,5-dimethylphenoxy)butanamide

C18H20ClNO2 — CID 92681805

IUPAC(2R)-N-(3-chlorophenyl)-2-(2,5-dimethylphenoxy)butanamide
SMILESCC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C18H20ClNO2/c1-4-16(22-17-10-12(2)8-9-13(17)3)18(21)20-15-7-5-6-14(19)11-15/h5-11,16H,4H2,1-3H3,(H,20,21)/t16-/m1/s1
InChIKeyNVDRTGRCICEBFF-MRXNPFEDSA-N
MW317.82 g/mol
LogP4.75
Rot. Bonds5

About (2R)-N-(3-chlorophenyl)-2-(2,5-dimethylphenoxy)butanamide

(2R)-N-(3-chlorophenyl)-2-(2,5-dimethylphenoxy)butanamide (PubChem CID 92681805) has the molecular formula C18H20ClNO2 and a molecular weight of 317.82 g/mol. Its IUPAC name is (2R)-N-(3-chlorophenyl)-2-(2,5-dimethylphenoxy)butanamide.

Molecular Properties

Compound Name(2R)-N-(3-chlorophenyl)-2-(2,5-dimethylphenoxy)butanamide
PubChem CID92681805
Molecular FormulaC18H20ClNO2
Molecular Weight317.82 g/mol
Exact Mass317.12
IUPAC Name(2R)-N-(3-chlorophenyl)-2-(2,5-dimethylphenoxy)butanamide
SMILESCC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C18H20ClNO2/c1-4-16(22-17-10-12(2)8-9-13(17)3)18(21)20-15-7-5-6-14(19)11-15/h5-11,16H,4H2,1-3H3,(H,20,21)/t16-/m1/s1
InChIKeyNVDRTGRCICEBFF-MRXNPFEDSA-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

(2R)-2-(2,5-dimethylphenoxy)-N-(3-methylphenyl)butanamide
CID 93488050
(2S)-N-(3-chlorophenyl)-2-(2,3-dimethylphenoxy)butanamide
CID 92682220
(2R)-2-(2,5-dimethylphenoxy)-N-(3,5-dimethylphenyl)butanamide
CID 92646353
(2S)-2-(3-chlorophenoxy)-N-(3-methylphenyl)butanamide
CID 92671807
(2S)-2-(2,5-dimethylphenoxy)-N-(3-prop-2-enoxyphenyl)butanamide
CID 99949902
N-(2-chlorophenyl)-2-(2,5-dimethylphenoxy)butanamide
CID 132760463
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(2,5-dimethylphenoxy)butanamide
CID 92673580
ethyl 2-chloro-4-[[(2R)-2-(2,5-dimethylphenoxy)butanoyl]amino]benzoate
CID 28636858
(2S)-2-(3-chlorophenoxy)-N-(3,4-dimethylphenyl)butanamide
CID 94020227
2-(3-chlorophenoxy)-N-(2,5-dimethylphenyl)butanamide
CID 43905074
2-(2,5-dimethylphenoxy)butanehydrazide
CID 54792983
(2R)-2-(2,4-dimethylphenoxy)-N-(3,4-dimethylphenyl)butanamide
CID 99133094

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-chlorophenyl)-2-(2,5-dimethylphenoxy)butanamide?
The IUPAC name of (2R)-N-(3-chlorophenyl)-2-(2,5-dimethylphenoxy)butanamide (CID 92681805) is (2R)-N-(3-chlorophenyl)-2-(2,5-dimethylphenoxy)butanamide.
What is the SMILES notation for (2R)-N-(3-chlorophenyl)-2-(2,5-dimethylphenoxy)butanamide?
The canonical SMILES for (2R)-N-(3-chlorophenyl)-2-(2,5-dimethylphenoxy)butanamide is CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of (2R)-N-(3-chlorophenyl)-2-(2,5-dimethylphenoxy)butanamide?
The InChIKey is NVDRTGRCICEBFF-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H20ClNO2/c1-4-16(22-17-10-12(2)8-9-13(17)3)18(21)20-15-7-5-6-14(19)11-15/h5-11,16H,4H2,1-3H3,(H,20,21)/t16-/m1/s1.
What are the key properties of (2R)-N-(3-chlorophenyl)-2-(2,5-dimethylphenoxy)butanamide?
(2R)-N-(3-chlorophenyl)-2-(2,5-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 (2R)-N-(3-chlorophenyl)-2-(2,5-dimethylphenoxy)butanamide is sourced from PubChem (CID 92681805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).