2-(4-chloro-2-methylphenoxy)-N-[(S)-phenyl(pyridin-2-yl)methyl]acetamide

C21H19ClN2O2 — CID 25386860

IUPAC2-(4-chloro-2-methylphenoxy)-N-[(S)-phenyl(pyridin-2-yl)methyl]acetamide
SMILESCc1cc(Cl)ccc1OCC(=O)N[C@@H](c1ccccc1)c1ccccn1
InChIInChI=1S/C21H19ClN2O2/c1-15-13-17(22)10-11-19(15)26-14-20(25)24-21(16-7-3-2-4-8-16)18-9-5-6-12-23-18/h2-13,21H,14H2,1H3,(H,24,25)/t21-/m0/s1
InChIKeyCWDOBCKGEVFENR-NRFANRHFSA-N
MW366.85 g/mol
LogP4.33
Rot. Bonds6

About 2-(4-chloro-2-methylphenoxy)-N-[(S)-phenyl(pyridin-2-yl)methyl]acetamide

2-(4-chloro-2-methylphenoxy)-N-[(S)-phenyl(pyridin-2-yl)methyl]acetamide (PubChem CID 25386860) has the molecular formula C21H19ClN2O2 and a molecular weight of 366.85 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-[(S)-phenyl(pyridin-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-[(S)-phenyl(pyridin-2-yl)methyl]acetamide
PubChem CID25386860
Molecular FormulaC21H19ClN2O2
Molecular Weight366.85 g/mol
Exact Mass366.11
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-[(S)-phenyl(pyridin-2-yl)methyl]acetamide
SMILESCc1cc(Cl)ccc1OCC(=O)N[C@@H](c1ccccc1)c1ccccn1
InChIInChI=1S/C21H19ClN2O2/c1-15-13-17(22)10-11-19(15)26-14-20(25)24-21(16-7-3-2-4-8-16)18-9-5-6-12-23-18/h2-13,21H,14H2,1H3,(H,24,25)/t21-/m0/s1
InChIKeyCWDOBCKGEVFENR-NRFANRHFSA-N
XLogP4.33
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-2-methylphenoxy)-N-[furan-2-yl(phenyl)methyl]acetamide
CID 55384972
2-(4-chloro-2-methylphenoxy)-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]acetamide
CID 91797524
2-(5-methyl-2-propan-2-ylphenoxy)-N-[(S)-phenyl(pyridin-2-yl)methyl]acetamide
CID 25408467
5-chloro-2-methoxy-N-[(S)-phenyl(pyridin-2-yl)methyl]benzamide
CID 93157403
2-(2-bromo-4-chlorophenoxy)-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide
CID 92683432
2-(4-chloro-2-methylphenoxy)-N-[(1S)-1-pyridin-4-ylethyl]acetamide
CID 40585331
2-(2-bromo-4-chlorophenoxy)-N-[(S)-(4-methylphenyl)-phenylmethyl]acetamide
CID 92679394
2-(4-chloro-2-methylphenoxy)-N-pentan-3-ylacetamide
CID 112779196
(2R)-2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-4-hydroxybutanoic acid
CID 107822760
(2S)-2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]butanedioic acid
CID 112732976
2-(4-chloro-2-methylphenoxy)-N-[1-(2-methylphenyl)ethyl]acetamide
CID 16544805
2-(4-chloro-2-methylphenoxy)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide
CID 9148638

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[(S)-phenyl(pyridin-2-yl)methyl]acetamide?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[(S)-phenyl(pyridin-2-yl)methyl]acetamide (CID 25386860) is 2-(4-chloro-2-methylphenoxy)-N-[(S)-phenyl(pyridin-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-[(S)-phenyl(pyridin-2-yl)methyl]acetamide?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-[(S)-phenyl(pyridin-2-yl)methyl]acetamide is Cc1cc(Cl)ccc1OCC(=O)N[C@@H](c1ccccc1)c1ccccn1.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-[(S)-phenyl(pyridin-2-yl)methyl]acetamide?
The InChIKey is CWDOBCKGEVFENR-NRFANRHFSA-N. The full InChI is InChI=1S/C21H19ClN2O2/c1-15-13-17(22)10-11-19(15)26-14-20(25)24-21(16-7-3-2-4-8-16)18-9-5-6-12-23-18/h2-13,21H,14H2,1H3,(H,24,25)/t21-/m0/s1.
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-[(S)-phenyl(pyridin-2-yl)methyl]acetamide?
2-(4-chloro-2-methylphenoxy)-N-[(S)-phenyl(pyridin-2-yl)methyl]acetamide has a molecular weight of 366.85 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-N-[(S)-phenyl(pyridin-2-yl)methyl]acetamide is sourced from PubChem (CID 25386860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).