(2R)-2-(3-chlorophenoxy)-N-ethylbutanamide

C12H16ClNO2 — CID 99131342

IUPAC(2R)-2-(3-chlorophenoxy)-N-ethylbutanamide
SMILESCCNC(=O)[C@@H](CC)Oc1cccc(Cl)c1
InChIInChI=1S/C12H16ClNO2/c1-3-11(12(15)14-4-2)16-10-7-5-6-9(13)8-10/h5-8,11H,3-4H2,1-2H3,(H,14,15)/t11-/m1/s1
InChIKeyYPZDVVJZOHJRKU-LLVKDONJSA-N
MW241.72 g/mol
LogP2.63
Rot. Bonds5

About (2R)-2-(3-chlorophenoxy)-N-ethylbutanamide

(2R)-2-(3-chlorophenoxy)-N-ethylbutanamide (PubChem CID 99131342) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is (2R)-2-(3-chlorophenoxy)-N-ethylbutanamide.

Molecular Properties

Compound Name(2R)-2-(3-chlorophenoxy)-N-ethylbutanamide
PubChem CID99131342
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name(2R)-2-(3-chlorophenoxy)-N-ethylbutanamide
SMILESCCNC(=O)[C@@H](CC)Oc1cccc(Cl)c1
InChIInChI=1S/C12H16ClNO2/c1-3-11(12(15)14-4-2)16-10-7-5-6-9(13)8-10/h5-8,11H,3-4H2,1-2H3,(H,14,15)/t11-/m1/s1
InChIKeyYPZDVVJZOHJRKU-LLVKDONJSA-N
XLogP2.63
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-2-(3-chlorophenoxy)butanamide
CID 13232174
2-(3-chlorophenoxy)-N-[(2-fluorophenyl)methyl]butanamide
CID 17068388
(2R)-2-(3-chlorophenoxy)-N-[2-(4-propan-2-ylphenyl)ethyl]butanamide
CID 28573896
(2R)-2-(3-chlorophenoxy)-N-(furan-2-ylmethyl)butanamide
CID 7346761
N-[(3-chlorophenyl)methyl]-2-phenoxybutanamide
CID 13232131
(2R)-N-[(3-chlorophenyl)methyl]-2-phenoxybutanamide
CID 8891222
(2R)-2-(3-chlorophenoxy)-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 28635444
2-(3-chlorophenoxy)-N-(naphthalen-2-ylmethyl)butanamide
CID 133218838
2-(3-chlorophenoxy)-N-(thiophen-2-ylmethyl)butanamide
CID 2970792
(2S)-2-(3-chlorophenoxy)-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 28635445
(2S)-N-(4-acetamidophenyl)-2-(3-chlorophenoxy)butanamide
CID 92681679
2-(3-chlorophenoxy)-N-[2-(4-ethylphenoxy)ethyl]butanamide
CID 133239975

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-chlorophenoxy)-N-ethylbutanamide?
The IUPAC name of (2R)-2-(3-chlorophenoxy)-N-ethylbutanamide (CID 99131342) is (2R)-2-(3-chlorophenoxy)-N-ethylbutanamide.
What is the SMILES notation for (2R)-2-(3-chlorophenoxy)-N-ethylbutanamide?
The canonical SMILES for (2R)-2-(3-chlorophenoxy)-N-ethylbutanamide is CCNC(=O)[C@@H](CC)Oc1cccc(Cl)c1.
What is the InChIKey of (2R)-2-(3-chlorophenoxy)-N-ethylbutanamide?
The InChIKey is YPZDVVJZOHJRKU-LLVKDONJSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-3-11(12(15)14-4-2)16-10-7-5-6-9(13)8-10/h5-8,11H,3-4H2,1-2H3,(H,14,15)/t11-/m1/s1.
What are the key properties of (2R)-2-(3-chlorophenoxy)-N-ethylbutanamide?
(2R)-2-(3-chlorophenoxy)-N-ethylbutanamide has a molecular weight of 241.72 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-chlorophenoxy)-N-ethylbutanamide is sourced from PubChem (CID 99131342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).