(2S)-2-(4-chlorophenoxy)-N-(pyridin-3-ylmethyl)propanamide

C15H15ClN2O2 — CID 800409

IUPAC(2S)-2-(4-chlorophenoxy)-N-(pyridin-3-ylmethyl)propanamide
SMILESC[C@H](Oc1ccc(Cl)cc1)C(=O)NCc1cccnc1
InChIInChI=1S/C15H15ClN2O2/c1-11(20-14-6-4-13(16)5-7-14)15(19)18-10-12-3-2-8-17-9-12/h2-9,11H,10H2,1H3,(H,18,19)/t11-/m0/s1
InChIKeyWQFUDHJPAAGAFM-NSHDSACASA-N
MW290.75 g/mol
LogP2.82
Rot. Bonds5

About (2S)-2-(4-chlorophenoxy)-N-(pyridin-3-ylmethyl)propanamide

(2S)-2-(4-chlorophenoxy)-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 800409) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is (2S)-2-(4-chlorophenoxy)-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(4-chlorophenoxy)-N-(pyridin-3-ylmethyl)propanamide
PubChem CID800409
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name(2S)-2-(4-chlorophenoxy)-N-(pyridin-3-ylmethyl)propanamide
SMILESC[C@H](Oc1ccc(Cl)cc1)C(=O)NCc1cccnc1
InChIInChI=1S/C15H15ClN2O2/c1-11(20-14-6-4-13(16)5-7-14)15(19)18-10-12-3-2-8-17-9-12/h2-9,11H,10H2,1H3,(H,18,19)/t11-/m0/s1
InChIKeyWQFUDHJPAAGAFM-NSHDSACASA-N
XLogP2.82
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-propan-2-ylphenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 25236333
(2S)-2-(4-fluorophenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 40624060
(2R)-2-(4-tert-butylphenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 40609627
2-(4-phenylphenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 4512766
(2R)-2-(4-chloro-3-methylphenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 890845
(2R)-2-(2,4-dichlorophenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 881059
2-(3-methylphenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 21366996
(2R)-2-(3-fluorophenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 31882488
N-[2-[[2-(4-chlorophenoxy)propanoylamino]methyl]phenyl]pyridine-3-carboxamide
CID 108925952
(2S)-2-(4-chlorophenoxy)-N-[(4-methoxyphenyl)methyl]propanamide
CID 2711643
2-(4-cyanophenoxy)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]propanamide
CID 55707900
(2S)-2-phenoxy-N-(pyridin-4-ylmethyl)propanamide
CID 670240

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chlorophenoxy)-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of (2S)-2-(4-chlorophenoxy)-N-(pyridin-3-ylmethyl)propanamide (CID 800409) is (2S)-2-(4-chlorophenoxy)-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for (2S)-2-(4-chlorophenoxy)-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for (2S)-2-(4-chlorophenoxy)-N-(pyridin-3-ylmethyl)propanamide is C[C@H](Oc1ccc(Cl)cc1)C(=O)NCc1cccnc1.
What is the InChIKey of (2S)-2-(4-chlorophenoxy)-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is WQFUDHJPAAGAFM-NSHDSACASA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-11(20-14-6-4-13(16)5-7-14)15(19)18-10-12-3-2-8-17-9-12/h2-9,11H,10H2,1H3,(H,18,19)/t11-/m0/s1.
What are the key properties of (2S)-2-(4-chlorophenoxy)-N-(pyridin-3-ylmethyl)propanamide?
(2S)-2-(4-chlorophenoxy)-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 290.75 g/mol, XLogP of 2.82, 5 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-3-ylmethyl)propanamide is sourced from PubChem (CID 800409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).