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

C18H20ClNO2 — CID 132760463

IUPACN-(2-chlorophenyl)-2-(2,5-dimethylphenoxy)butanamide
SMILESCCC(Oc1cc(C)ccc1C)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C18H20ClNO2/c1-4-16(22-17-11-12(2)9-10-13(17)3)18(21)20-15-8-6-5-7-14(15)19/h5-11,16H,4H2,1-3H3,(H,20,21)
InChIKeyAZNHVZNPJUVFKL-UHFFFAOYSA-N
MW317.82 g/mol
LogP4.75
Rot. Bonds5

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

N-(2-chlorophenyl)-2-(2,5-dimethylphenoxy)butanamide (PubChem CID 132760463) has the molecular formula C18H20ClNO2 and a molecular weight of 317.82 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-(2,5-dimethylphenoxy)butanamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-(2,5-dimethylphenoxy)butanamide
PubChem CID132760463
Molecular FormulaC18H20ClNO2
Molecular Weight317.82 g/mol
Exact Mass317.12
IUPAC NameN-(2-chlorophenyl)-2-(2,5-dimethylphenoxy)butanamide
SMILESCCC(Oc1cc(C)ccc1C)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C18H20ClNO2/c1-4-16(22-17-11-12(2)9-10-13(17)3)18(21)20-15-8-6-5-7-14(15)19/h5-11,16H,4H2,1-3H3,(H,20,21)
InChIKeyAZNHVZNPJUVFKL-UHFFFAOYSA-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-(2,5-dimethylphenoxy)-N-[2-(trifluoromethyl)phenyl]butanamide
CID 28570801
2-[[(2R)-2-(2,5-dimethylphenoxy)butanoyl]amino]benzamide
CID 94020116
2-[2-(2,5-dimethylphenoxy)butanoylamino]benzamide
CID 46772808
(2R)-2-(2-chlorophenoxy)-N-(2,4-dimethylphenyl)butanamide
CID 30396975
methyl 4-chloro-3-[[(2S)-2-(2,5-dimethylphenoxy)butanoyl]amino]benzoate
CID 99959839
(2S)-N-(2-chlorophenyl)-2-(3,4-dimethylphenoxy)butanamide
CID 28633690
(2R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2,5-dimethylphenoxy)butanamide
CID 94020173
(2R)-2-(2,5-dimethylphenoxy)-N-(3,5-dimethylphenyl)butanamide
CID 92646353
2-(4-chloro-3-methylphenoxy)-N-(2-chlorophenyl)butanamide
CID 132651835
(2R)-2-(2,5-dimethylphenoxy)-N-(2-methoxy-5-methylphenyl)butanamide
CID 28635073
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(2,5-dimethylphenoxy)butanamide
CID 92673580
(2R)-N-(3-chlorophenyl)-2-(2,5-dimethylphenoxy)butanamide
CID 92681805

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-(2,5-dimethylphenoxy)butanamide?
The IUPAC name of N-(2-chlorophenyl)-2-(2,5-dimethylphenoxy)butanamide (CID 132760463) is N-(2-chlorophenyl)-2-(2,5-dimethylphenoxy)butanamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-(2,5-dimethylphenoxy)butanamide?
The canonical SMILES for N-(2-chlorophenyl)-2-(2,5-dimethylphenoxy)butanamide is CCC(Oc1cc(C)ccc1C)C(=O)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-2-(2,5-dimethylphenoxy)butanamide?
The InChIKey is AZNHVZNPJUVFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO2/c1-4-16(22-17-11-12(2)9-10-13(17)3)18(21)20-15-8-6-5-7-14(15)19/h5-11,16H,4H2,1-3H3,(H,20,21).
What are the key properties of N-(2-chlorophenyl)-2-(2,5-dimethylphenoxy)butanamide?
N-(2-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 N-(2-chlorophenyl)-2-(2,5-dimethylphenoxy)butanamide is sourced from PubChem (CID 132760463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).