(2R)-2-(4-chloro-3-methylphenoxy)-N-(pyridin-3-ylmethyl)propanamide

C16H17ClN2O2 — CID 890845

IUPAC(2R)-2-(4-chloro-3-methylphenoxy)-N-(pyridin-3-ylmethyl)propanamide
SMILESCc1cc(O[C@H](C)C(=O)NCc2cccnc2)ccc1Cl
InChIInChI=1S/C16H17ClN2O2/c1-11-8-14(5-6-15(11)17)21-12(2)16(20)19-10-13-4-3-7-18-9-13/h3-9,12H,10H2,1-2H3,(H,19,20)/t12-/m1/s1
InChIKeyNWCFPTAHYDRNOK-GFCCVEGCSA-N
MW304.78 g/mol
LogP3.13
Rot. Bonds5

About (2R)-2-(4-chloro-3-methylphenoxy)-N-(pyridin-3-ylmethyl)propanamide

(2R)-2-(4-chloro-3-methylphenoxy)-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 890845) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is (2R)-2-(4-chloro-3-methylphenoxy)-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(4-chloro-3-methylphenoxy)-N-(pyridin-3-ylmethyl)propanamide
PubChem CID890845
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name(2R)-2-(4-chloro-3-methylphenoxy)-N-(pyridin-3-ylmethyl)propanamide
SMILESCc1cc(O[C@H](C)C(=O)NCc2cccnc2)ccc1Cl
InChIInChI=1S/C16H17ClN2O2/c1-11-8-14(5-6-15(11)17)21-12(2)16(20)19-10-13-4-3-7-18-9-13/h3-9,12H,10H2,1-2H3,(H,19,20)/t12-/m1/s1
InChIKeyNWCFPTAHYDRNOK-GFCCVEGCSA-N
XLogP3.13
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(4-chlorophenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 800409
2-[[(2R)-2-(4-chloro-3-methylphenoxy)propanoyl]amino]-N-(pyridin-3-ylmethyl)benzamide
CID 94876781
(2S)-2-(4-chloro-3-methylphenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]propanamide
CID 99132987
2-(4-propan-2-ylphenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 25236333
2-(3-methylphenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 21366996
(2R)-2-(3-fluorophenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 31882488
(2S)-2-(4-fluorophenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 40624060
2-(4-phenylphenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 4512766
(2R)-2-(4-tert-butylphenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 40609627
(2R)-2-(2,4-dichlorophenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 881059
(2S)-2-(4-chloro-3-methylphenoxy)-N-[(2-methylphenyl)methyl]propanamide
CID 99132986
2-(4-chloro-3-methylphenoxy)-N-[[4-(dimethylamino)phenyl]methyl]propanamide
CID 53288784

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chloro-3-methylphenoxy)-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of (2R)-2-(4-chloro-3-methylphenoxy)-N-(pyridin-3-ylmethyl)propanamide (CID 890845) is (2R)-2-(4-chloro-3-methylphenoxy)-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for (2R)-2-(4-chloro-3-methylphenoxy)-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for (2R)-2-(4-chloro-3-methylphenoxy)-N-(pyridin-3-ylmethyl)propanamide is Cc1cc(O[C@H](C)C(=O)NCc2cccnc2)ccc1Cl.
What is the InChIKey of (2R)-2-(4-chloro-3-methylphenoxy)-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is NWCFPTAHYDRNOK-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-11-8-14(5-6-15(11)17)21-12(2)16(20)19-10-13-4-3-7-18-9-13/h3-9,12H,10H2,1-2H3,(H,19,20)/t12-/m1/s1.
What are the key properties of (2R)-2-(4-chloro-3-methylphenoxy)-N-(pyridin-3-ylmethyl)propanamide?
(2R)-2-(4-chloro-3-methylphenoxy)-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 304.78 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chloro-3-methylphenoxy)-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 890845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).