2-(2-chloro-5-methylphenoxy)-N-(1-pyridin-3-ylethyl)propanamide

C17H19ClN2O2 — CID 51085826

IUPAC2-(2-chloro-5-methylphenoxy)-N-(1-pyridin-3-ylethyl)propanamide
SMILESCc1ccc(Cl)c(OC(C)C(=O)NC(C)c2cccnc2)c1
InChIInChI=1S/C17H19ClN2O2/c1-11-6-7-15(18)16(9-11)22-13(3)17(21)20-12(2)14-5-4-8-19-10-14/h4-10,12-13H,1-3H3,(H,20,21)
InChIKeyMTARYGDOUJFTKF-UHFFFAOYSA-N
MW318.80 g/mol
LogP3.69
Rot. Bonds5

About 2-(2-chloro-5-methylphenoxy)-N-(1-pyridin-3-ylethyl)propanamide

2-(2-chloro-5-methylphenoxy)-N-(1-pyridin-3-ylethyl)propanamide (PubChem CID 51085826) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is 2-(2-chloro-5-methylphenoxy)-N-(1-pyridin-3-ylethyl)propanamide.

Molecular Properties

Compound Name2-(2-chloro-5-methylphenoxy)-N-(1-pyridin-3-ylethyl)propanamide
PubChem CID51085826
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC Name2-(2-chloro-5-methylphenoxy)-N-(1-pyridin-3-ylethyl)propanamide
SMILESCc1ccc(Cl)c(OC(C)C(=O)NC(C)c2cccnc2)c1
InChIInChI=1S/C17H19ClN2O2/c1-11-6-7-15(18)16(9-11)22-13(3)17(21)20-12(2)14-5-4-8-19-10-14/h4-10,12-13H,1-3H3,(H,20,21)
InChIKeyMTARYGDOUJFTKF-UHFFFAOYSA-N
XLogP3.69
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[(1S)-2-amino-2-oxo-1-phenylethyl]-2-(2-chloro-5-methylphenoxy)propanamide
CID 94058730
2-chloro-N-[(1R)-1-pyridin-3-ylethyl]propanamide
CID 81405185
(2S)-2-(2-chlorophenoxy)-N-[(1R)-1-phenylethyl]propanamide
CID 42563640
(2S)-2-(2-chloro-5-methylphenoxy)-N-phenylpropanamide
CID 7642896
2-(2,5-dichlorophenoxy)-N-(1-pyridin-3-ylethyl)acetamide
CID 18163135
2-(4-cyanophenoxy)-N-(1-pyridin-3-ylethyl)propanamide
CID 51193139
2,5-dichloro-N-(1-pyridin-3-ylethyl)benzamide
CID 18168780
(2R)-2-(2-chlorophenoxy)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]propanamide
CID 94843604
2-(methylamino)-N-[(1S)-1-pyridin-3-ylethyl]propanamide
CID 81404462
2-fluoro-4-methyl-N-(1-pyridin-3-ylethyl)benzamide
CID 79778156
methyl N-[(1R)-1-pyridin-3-ylethyl]carbamate
CID 130621848
2-(4-chloro-3-methylphenoxy)-N-[(1S)-1-phenylethyl]propanamide
CID 133190294

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-methylphenoxy)-N-(1-pyridin-3-ylethyl)propanamide?
The IUPAC name of 2-(2-chloro-5-methylphenoxy)-N-(1-pyridin-3-ylethyl)propanamide (CID 51085826) is 2-(2-chloro-5-methylphenoxy)-N-(1-pyridin-3-ylethyl)propanamide.
What is the SMILES notation for 2-(2-chloro-5-methylphenoxy)-N-(1-pyridin-3-ylethyl)propanamide?
The canonical SMILES for 2-(2-chloro-5-methylphenoxy)-N-(1-pyridin-3-ylethyl)propanamide is Cc1ccc(Cl)c(OC(C)C(=O)NC(C)c2cccnc2)c1.
What is the InChIKey of 2-(2-chloro-5-methylphenoxy)-N-(1-pyridin-3-ylethyl)propanamide?
The InChIKey is MTARYGDOUJFTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c1-11-6-7-15(18)16(9-11)22-13(3)17(21)20-12(2)14-5-4-8-19-10-14/h4-10,12-13H,1-3H3,(H,20,21).
What are the key properties of 2-(2-chloro-5-methylphenoxy)-N-(1-pyridin-3-ylethyl)propanamide?
2-(2-chloro-5-methylphenoxy)-N-(1-pyridin-3-ylethyl)propanamide has a molecular weight of 318.80 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-methylphenoxy)-N-(1-pyridin-3-ylethyl)propanamide is sourced from PubChem (CID 51085826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).