(2S)-2-(4-chlorophenoxy)-N-(pyridin-4-ylmethyl)butanamide

C16H17ClN2O2 — CID 7450116

IUPAC(2S)-2-(4-chlorophenoxy)-N-(pyridin-4-ylmethyl)butanamide
SMILESCC[C@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccncc1
InChIInChI=1S/C16H17ClN2O2/c1-2-15(21-14-5-3-13(17)4-6-14)16(20)19-11-12-7-9-18-10-8-12/h3-10,15H,2,11H2,1H3,(H,19,20)/t15-/m0/s1
InChIKeyGIETXPWTEPOXRY-HNNXBMFYSA-N
MW304.78 g/mol
LogP3.21
Rot. Bonds6

About (2S)-2-(4-chlorophenoxy)-N-(pyridin-4-ylmethyl)butanamide

(2S)-2-(4-chlorophenoxy)-N-(pyridin-4-ylmethyl)butanamide (PubChem CID 7450116) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is (2S)-2-(4-chlorophenoxy)-N-(pyridin-4-ylmethyl)butanamide.

Molecular Properties

Compound Name(2S)-2-(4-chlorophenoxy)-N-(pyridin-4-ylmethyl)butanamide
PubChem CID7450116
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name(2S)-2-(4-chlorophenoxy)-N-(pyridin-4-ylmethyl)butanamide
SMILESCC[C@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccncc1
InChIInChI=1S/C16H17ClN2O2/c1-2-15(21-14-5-3-13(17)4-6-14)16(20)19-11-12-7-9-18-10-8-12/h3-10,15H,2,11H2,1H3,(H,19,20)/t15-/m0/s1
InChIKeyGIETXPWTEPOXRY-HNNXBMFYSA-N
XLogP3.21
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-(4-chlorophenoxy)butanamide
CID 13232190
(2R)-2-(4-chlorophenoxy)-N-[(4-methylphenyl)methyl]butanamide
CID 9173431
(2S)-2-(3,4-dimethylphenoxy)-N-(pyridin-4-ylmethyl)butanamide
CID 94019548
2-[4-chloro-3-(trifluoromethyl)phenoxy]-N-(pyridin-4-ylmethyl)butanamide
CID 13342513
2-(4-chlorophenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]butanamide
CID 133211166
2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(pyridin-4-ylmethyl)butanamide
CID 133210687
(2S)-N-[(4-chlorophenyl)methyl]-2-naphthalen-2-yloxybutanamide
CID 99131305
2-(4-chlorophenoxy)-N-(naphthalen-2-ylmethyl)butanamide
CID 133218872
(2S)-2-(4-chlorophenoxy)-N-[(3,4-dimethoxyphenyl)methyl]butanamide
CID 29419335
N-[(4-chlorophenyl)methyl]-2-(3-methoxyphenoxy)butanamide
CID 53284365
2-(4-chlorophenoxy)-N-[(3,4-diethoxyphenyl)methyl]butanamide
CID 132659523
(2R)-2-(4-chlorophenoxy)-N-[(3-ethoxyphenyl)methyl]butanamide
CID 99131710

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chlorophenoxy)-N-(pyridin-4-ylmethyl)butanamide?
The IUPAC name of (2S)-2-(4-chlorophenoxy)-N-(pyridin-4-ylmethyl)butanamide (CID 7450116) is (2S)-2-(4-chlorophenoxy)-N-(pyridin-4-ylmethyl)butanamide.
What is the SMILES notation for (2S)-2-(4-chlorophenoxy)-N-(pyridin-4-ylmethyl)butanamide?
The canonical SMILES for (2S)-2-(4-chlorophenoxy)-N-(pyridin-4-ylmethyl)butanamide is CC[C@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccncc1.
What is the InChIKey of (2S)-2-(4-chlorophenoxy)-N-(pyridin-4-ylmethyl)butanamide?
The InChIKey is GIETXPWTEPOXRY-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-2-15(21-14-5-3-13(17)4-6-14)16(20)19-11-12-7-9-18-10-8-12/h3-10,15H,2,11H2,1H3,(H,19,20)/t15-/m0/s1.
What are the key properties of (2S)-2-(4-chlorophenoxy)-N-(pyridin-4-ylmethyl)butanamide?
(2S)-2-(4-chlorophenoxy)-N-(pyridin-4-ylmethyl)butanamide has a molecular weight of 304.78 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chlorophenoxy)-N-(pyridin-4-ylmethyl)butanamide is sourced from PubChem (CID 7450116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).