(2R)-2-(3-chlorophenoxy)-N-(2-pyridin-2-ylethyl)propanamide

C16H17ClN2O2 — CID 31528376

IUPAC(2R)-2-(3-chlorophenoxy)-N-(2-pyridin-2-ylethyl)propanamide
SMILESC[C@@H](Oc1cccc(Cl)c1)C(=O)NCCc1ccccn1
InChIInChI=1S/C16H17ClN2O2/c1-12(21-15-7-4-5-13(17)11-15)16(20)19-10-8-14-6-2-3-9-18-14/h2-7,9,11-12H,8,10H2,1H3,(H,19,20)/t12-/m1/s1
InChIKeyCTPNWJBNLLXSSM-GFCCVEGCSA-N
MW304.78 g/mol
LogP2.86
Rot. Bonds6

About (2R)-2-(3-chlorophenoxy)-N-(2-pyridin-2-ylethyl)propanamide

(2R)-2-(3-chlorophenoxy)-N-(2-pyridin-2-ylethyl)propanamide (PubChem CID 31528376) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is (2R)-2-(3-chlorophenoxy)-N-(2-pyridin-2-ylethyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(3-chlorophenoxy)-N-(2-pyridin-2-ylethyl)propanamide
PubChem CID31528376
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name(2R)-2-(3-chlorophenoxy)-N-(2-pyridin-2-ylethyl)propanamide
SMILESC[C@@H](Oc1cccc(Cl)c1)C(=O)NCCc1ccccn1
InChIInChI=1S/C16H17ClN2O2/c1-12(21-15-7-4-5-13(17)11-15)16(20)19-10-8-14-6-2-3-9-18-14/h2-7,9,11-12H,8,10H2,1H3,(H,19,20)/t12-/m1/s1
InChIKeyCTPNWJBNLLXSSM-GFCCVEGCSA-N
XLogP2.86
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 ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(3-chlorophenoxy)-N-[2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]ethyl]propanamide
CID 2165550
2-(4-bromophenoxy)-N-(2-pyridin-2-ylethyl)propanamide
CID 51164070
2-(3-chlorophenoxy)-N-[2-(2-methylphenyl)ethyl]propanamide
CID 18114553
2-[2-(3-chlorophenoxy)propyl]-1-ethyl-3-(2-pyridin-2-ylethyl)guanidine
CID 111511999
(2R)-2-(3-chlorophenoxy)-N-pyridin-2-ylpropanamide
CID 40533142
ethane;2-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 142112887
(2R)-2-naphthalen-2-yloxy-N-(3-pyridin-2-ylpropyl)propanamide
CID 97117703
(2S)-2-(3-chlorophenoxy)-N-(2-methylpropyl)propanamide
CID 966270
(2S)-2-(3-chlorophenoxy)-N-(pyridin-2-ylmethyl)butanamide
CID 29057267
2-chloro-N-(2-pyridin-2-ylethyl)propanamide
CID 24692533
(2R)-2-(3-chlorophenoxy)-N-[3-(2-ethoxyphenyl)propyl]propanamide
CID 92684006
2-(3-chlorophenoxy)-N-[2-(2-propan-2-ylphenoxy)ethyl]propanamide
CID 133165269

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-chlorophenoxy)-N-(2-pyridin-2-ylethyl)propanamide?
The IUPAC name of (2R)-2-(3-chlorophenoxy)-N-(2-pyridin-2-ylethyl)propanamide (CID 31528376) is (2R)-2-(3-chlorophenoxy)-N-(2-pyridin-2-ylethyl)propanamide.
What is the SMILES notation for (2R)-2-(3-chlorophenoxy)-N-(2-pyridin-2-ylethyl)propanamide?
The canonical SMILES for (2R)-2-(3-chlorophenoxy)-N-(2-pyridin-2-ylethyl)propanamide is C[C@@H](Oc1cccc(Cl)c1)C(=O)NCCc1ccccn1.
What is the InChIKey of (2R)-2-(3-chlorophenoxy)-N-(2-pyridin-2-ylethyl)propanamide?
The InChIKey is CTPNWJBNLLXSSM-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-12(21-15-7-4-5-13(17)11-15)16(20)19-10-8-14-6-2-3-9-18-14/h2-7,9,11-12H,8,10H2,1H3,(H,19,20)/t12-/m1/s1.
What are the key properties of (2R)-2-(3-chlorophenoxy)-N-(2-pyridin-2-ylethyl)propanamide?
(2R)-2-(3-chlorophenoxy)-N-(2-pyridin-2-ylethyl)propanamide has a molecular weight of 304.78 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-chlorophenoxy)-N-(2-pyridin-2-ylethyl)propanamide is sourced from PubChem (CID 31528376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).