2-(3-chloro-4-methylphenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide

C19H23ClN2O2 — CID 162379820

IUPAC2-(3-chloro-4-methylphenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide
SMILESCCCN(C[C@@H](O)c1cccnc1)C(=O)Cc1ccc(C)c(Cl)c1
InChIInChI=1S/C19H23ClN2O2/c1-3-9-22(13-18(23)16-5-4-8-21-12-16)19(24)11-15-7-6-14(2)17(20)10-15/h4-8,10,12,18,23H,3,9,11,13H2,1-2H3/t18-/m1/s1
InChIKeyNMIBGUVWTFNRDN-GOSISDBHSA-N
MW346.86 g/mol
LogP3.56
Rot. Bonds7

About 2-(3-chloro-4-methylphenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide

2-(3-chloro-4-methylphenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide (PubChem CID 162379820) has the molecular formula C19H23ClN2O2 and a molecular weight of 346.86 g/mol. Its IUPAC name is 2-(3-chloro-4-methylphenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide.

Molecular Properties

Compound Name2-(3-chloro-4-methylphenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide
PubChem CID162379820
Molecular FormulaC19H23ClN2O2
Molecular Weight346.86 g/mol
Exact Mass346.14
IUPAC Name2-(3-chloro-4-methylphenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide
SMILESCCCN(C[C@@H](O)c1cccnc1)C(=O)Cc1ccc(C)c(Cl)c1
InChIInChI=1S/C19H23ClN2O2/c1-3-9-22(13-18(23)16-5-4-8-21-12-16)19(24)11-15-7-6-14(2)17(20)10-15/h4-8,10,12,18,23H,3,9,11,13H2,1-2H3/t18-/m1/s1
InChIKeyNMIBGUVWTFNRDN-GOSISDBHSA-N
XLogP3.56
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methylphenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide?
The IUPAC name of 2-(3-chloro-4-methylphenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide (CID 162379820) is 2-(3-chloro-4-methylphenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide.
What is the SMILES notation for 2-(3-chloro-4-methylphenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide?
The canonical SMILES for 2-(3-chloro-4-methylphenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide is CCCN(C[C@@H](O)c1cccnc1)C(=O)Cc1ccc(C)c(Cl)c1.
What is the InChIKey of 2-(3-chloro-4-methylphenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide?
The InChIKey is NMIBGUVWTFNRDN-GOSISDBHSA-N. The full InChI is InChI=1S/C19H23ClN2O2/c1-3-9-22(13-18(23)16-5-4-8-21-12-16)19(24)11-15-7-6-14(2)17(20)10-15/h4-8,10,12,18,23H,3,9,11,13H2,1-2H3/t18-/m1/s1.
What are the key properties of 2-(3-chloro-4-methylphenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide?
2-(3-chloro-4-methylphenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide has a molecular weight of 346.86 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methylphenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide is sourced from PubChem (CID 162379820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).