(2R)-2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[2-(4-methylphenyl)ethyl]butanamide

C18H20Cl2N2O2 — CID 90163472

IUPAC(2R)-2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[2-(4-methylphenyl)ethyl]butanamide
SMILESCC[C@@H](Oc1ncc(Cl)cc1Cl)C(=O)NCCc1ccc(C)cc1
InChIInChI=1S/C18H20Cl2N2O2/c1-3-16(24-18-15(20)10-14(19)11-22-18)17(23)21-9-8-13-6-4-12(2)5-7-13/h4-7,10-11,16H,3,8-9H2,1-2H3,(H,21,23)/t16-/m1/s1
InChIKeyJAMVHOMFGYBJRG-MRXNPFEDSA-N
MW367.28 g/mol
LogP4.21
Rot. Bonds7

About (2R)-2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[2-(4-methylphenyl)ethyl]butanamide

(2R)-2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[2-(4-methylphenyl)ethyl]butanamide (PubChem CID 90163472) has the molecular formula C18H20Cl2N2O2 and a molecular weight of 367.28 g/mol. Its IUPAC name is (2R)-2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[2-(4-methylphenyl)ethyl]butanamide.

Molecular Properties

Compound Name(2R)-2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[2-(4-methylphenyl)ethyl]butanamide
PubChem CID90163472
Molecular FormulaC18H20Cl2N2O2
Molecular Weight367.28 g/mol
Exact Mass366.09
IUPAC Name(2R)-2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[2-(4-methylphenyl)ethyl]butanamide
SMILESCC[C@@H](Oc1ncc(Cl)cc1Cl)C(=O)NCCc1ccc(C)cc1
InChIInChI=1S/C18H20Cl2N2O2/c1-3-16(24-18-15(20)10-14(19)11-22-18)17(23)21-9-8-13-6-4-12(2)5-7-13/h4-7,10-11,16H,3,8-9H2,1-2H3,(H,21,23)/t16-/m1/s1
InChIKeyJAMVHOMFGYBJRG-MRXNPFEDSA-N
XLogP4.21
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.28
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[(3,4-dimethoxyphenyl)methyl]butanamide
CID 71230209
3-[(3,5-dichloro-2-pyridinyl)oxy]-1-[2-(4-fluorophenyl)ethylamino]pentan-2-one
CID 123525561
methyl (2R)-2-[(3,5-dichloro-2-pyridinyl)oxy]butanoate
CID 165431123
(2R)-2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[(3-formylphenyl)methyl]butanamide
CID 170433966
(2R)-2-(3-chlorophenoxy)-N-[2-(4-propan-2-ylphenyl)ethyl]butanamide
CID 28573896
2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[1-(4-fluorophenyl)ethyl]butanamide
CID 71229487
(2R)-2-(3-chlorophenoxy)-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 28635444
(2S)-2-(3-chlorophenoxy)-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 28635445
N-[2-(4-chlorophenyl)ethyl]-2-(2,3-dimethylphenoxy)butanamide
CID 133240114
(2S)-2-(3-methylphenoxy)-N-[3-(4-methylphenyl)propyl]butanamide
CID 92681450
(2R)-N-(1-benzothiophen-5-ylmethyl)-2-[(3-chloro-5-methyl-2-pyridinyl)oxy]butanamide
CID 71229893
N-[2-(4-aminophenyl)ethyl]-2-(3-methylphenoxy)butanamide;hydrochloride
CID 119549172

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[2-(4-methylphenyl)ethyl]butanamide?
The IUPAC name of (2R)-2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[2-(4-methylphenyl)ethyl]butanamide (CID 90163472) is (2R)-2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[2-(4-methylphenyl)ethyl]butanamide.
What is the SMILES notation for (2R)-2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[2-(4-methylphenyl)ethyl]butanamide?
The canonical SMILES for (2R)-2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[2-(4-methylphenyl)ethyl]butanamide is CC[C@@H](Oc1ncc(Cl)cc1Cl)C(=O)NCCc1ccc(C)cc1.
What is the InChIKey of (2R)-2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[2-(4-methylphenyl)ethyl]butanamide?
The InChIKey is JAMVHOMFGYBJRG-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H20Cl2N2O2/c1-3-16(24-18-15(20)10-14(19)11-22-18)17(23)21-9-8-13-6-4-12(2)5-7-13/h4-7,10-11,16H,3,8-9H2,1-2H3,(H,21,23)/t16-/m1/s1.
What are the key properties of (2R)-2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[2-(4-methylphenyl)ethyl]butanamide?
(2R)-2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[2-(4-methylphenyl)ethyl]butanamide has a molecular weight of 367.28 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[2-(4-methylphenyl)ethyl]butanamide is sourced from PubChem (CID 90163472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).