(2S)-2-(3-chlorophenoxy)-N-(pyridin-2-ylmethyl)butanamide

C16H17ClN2O2 — CID 29057267

IUPAC(2S)-2-(3-chlorophenoxy)-N-(pyridin-2-ylmethyl)butanamide
SMILESCC[C@H](Oc1cccc(Cl)c1)C(=O)NCc1ccccn1
InChIInChI=1S/C16H17ClN2O2/c1-2-15(21-14-8-5-6-12(17)10-14)16(20)19-11-13-7-3-4-9-18-13/h3-10,15H,2,11H2,1H3,(H,19,20)/t15-/m0/s1
InChIKeyFQDTWSXTENJSPB-HNNXBMFYSA-N
MW304.78 g/mol
LogP3.21
Rot. Bonds6

About (2S)-2-(3-chlorophenoxy)-N-(pyridin-2-ylmethyl)butanamide

(2S)-2-(3-chlorophenoxy)-N-(pyridin-2-ylmethyl)butanamide (PubChem CID 29057267) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is (2S)-2-(3-chlorophenoxy)-N-(pyridin-2-ylmethyl)butanamide.

Molecular Properties

Compound Name(2S)-2-(3-chlorophenoxy)-N-(pyridin-2-ylmethyl)butanamide
PubChem CID29057267
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name(2S)-2-(3-chlorophenoxy)-N-(pyridin-2-ylmethyl)butanamide
SMILESCC[C@H](Oc1cccc(Cl)c1)C(=O)NCc1ccccn1
InChIInChI=1S/C16H17ClN2O2/c1-2-15(21-14-8-5-6-12(17)10-14)16(20)19-11-13-7-3-4-9-18-13/h3-10,15H,2,11H2,1H3,(H,19,20)/t15-/m0/s1
InChIKeyFQDTWSXTENJSPB-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

2-(4-methoxyphenoxy)-N-(pyridin-2-ylmethyl)butanamide
CID 25252608
N-benzyl-2-(3-chlorophenoxy)butanamide
CID 13232174
(2R)-2-(3-chlorophenoxy)-N-ethylbutanamide
CID 99131342
2-(3-chlorophenoxy)-N-[(2-fluorophenyl)methyl]butanamide
CID 17068388
N-[(3-chlorophenyl)methyl]-2-phenoxybutanamide
CID 13232131
(2R)-N-[(3-chlorophenyl)methyl]-2-phenoxybutanamide
CID 8891222
2-(3-chlorophenoxy)-N-(thiophen-2-ylmethyl)butanamide
CID 2970792
2-(3-chlorophenoxy)-N-(naphthalen-2-ylmethyl)butanamide
CID 133218838
(2R)-2-(3-chlorophenoxy)-N-(furan-2-ylmethyl)butanamide
CID 7346761
(2R)-2-(3-chlorophenoxy)-N-(2-pyridin-2-ylethyl)propanamide
CID 31528376
(2S)-2-(3-chlorophenoxy)-N-[(2,5-diethylphenyl)methyl]butanamide
CID 100743652
(2R)-2-(3-chlorophenoxy)-N-[2-(4-propan-2-ylphenyl)ethyl]butanamide
CID 28573896

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-chlorophenoxy)-N-(pyridin-2-ylmethyl)butanamide?
The IUPAC name of (2S)-2-(3-chlorophenoxy)-N-(pyridin-2-ylmethyl)butanamide (CID 29057267) is (2S)-2-(3-chlorophenoxy)-N-(pyridin-2-ylmethyl)butanamide.
What is the SMILES notation for (2S)-2-(3-chlorophenoxy)-N-(pyridin-2-ylmethyl)butanamide?
The canonical SMILES for (2S)-2-(3-chlorophenoxy)-N-(pyridin-2-ylmethyl)butanamide is CC[C@H](Oc1cccc(Cl)c1)C(=O)NCc1ccccn1.
What is the InChIKey of (2S)-2-(3-chlorophenoxy)-N-(pyridin-2-ylmethyl)butanamide?
The InChIKey is FQDTWSXTENJSPB-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-2-15(21-14-8-5-6-12(17)10-14)16(20)19-11-13-7-3-4-9-18-13/h3-10,15H,2,11H2,1H3,(H,19,20)/t15-/m0/s1.
What are the key properties of (2S)-2-(3-chlorophenoxy)-N-(pyridin-2-ylmethyl)butanamide?
(2S)-2-(3-chlorophenoxy)-N-(pyridin-2-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-(3-chlorophenoxy)-N-(pyridin-2-ylmethyl)butanamide is sourced from PubChem (CID 29057267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).