N-cyclobutyl-2-(3,4-dichlorophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]acetamide

C19H20Cl2N2O2 — CID 162379685

IUPACN-cyclobutyl-2-(3,4-dichlorophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]acetamide
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)N(C[C@@H](O)c1cccnc1)C1CCC1
InChIInChI=1S/C19H20Cl2N2O2/c20-16-7-6-13(9-17(16)21)10-19(25)23(15-4-1-5-15)12-18(24)14-3-2-8-22-11-14/h2-3,6-9,11,15,18,24H,1,4-5,10,12H2/t18-/m1/s1
InChIKeyALDUGXFZVJSZAA-GOSISDBHSA-N
MW379.29 g/mol
LogP4.05
Rot. Bonds6

About N-cyclobutyl-2-(3,4-dichlorophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]acetamide

N-cyclobutyl-2-(3,4-dichlorophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]acetamide (PubChem CID 162379685) has the molecular formula C19H20Cl2N2O2 and a molecular weight of 379.29 g/mol. Its IUPAC name is N-cyclobutyl-2-(3,4-dichlorophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]acetamide.

Molecular Properties

Compound NameN-cyclobutyl-2-(3,4-dichlorophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]acetamide
PubChem CID162379685
Molecular FormulaC19H20Cl2N2O2
Molecular Weight379.29 g/mol
Exact Mass378.09
IUPAC NameN-cyclobutyl-2-(3,4-dichlorophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]acetamide
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)N(C[C@@H](O)c1cccnc1)C1CCC1
InChIInChI=1S/C19H20Cl2N2O2/c20-16-7-6-13(9-17(16)21)10-19(25)23(15-4-1-5-15)12-18(24)14-3-2-8-22-11-14/h2-3,6-9,11,15,18,24H,1,4-5,10,12H2/t18-/m1/s1
InChIKeyALDUGXFZVJSZAA-GOSISDBHSA-N
XLogP4.05
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.29
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-2-(3,4-dichlorophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]acetamide?
The IUPAC name of N-cyclobutyl-2-(3,4-dichlorophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]acetamide (CID 162379685) is N-cyclobutyl-2-(3,4-dichlorophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]acetamide.
What is the SMILES notation for N-cyclobutyl-2-(3,4-dichlorophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]acetamide?
The canonical SMILES for N-cyclobutyl-2-(3,4-dichlorophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]acetamide is O=C(Cc1ccc(Cl)c(Cl)c1)N(C[C@@H](O)c1cccnc1)C1CCC1.
What is the InChIKey of N-cyclobutyl-2-(3,4-dichlorophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]acetamide?
The InChIKey is ALDUGXFZVJSZAA-GOSISDBHSA-N. The full InChI is InChI=1S/C19H20Cl2N2O2/c20-16-7-6-13(9-17(16)21)10-19(25)23(15-4-1-5-15)12-18(24)14-3-2-8-22-11-14/h2-3,6-9,11,15,18,24H,1,4-5,10,12H2/t18-/m1/s1.
What are the key properties of N-cyclobutyl-2-(3,4-dichlorophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]acetamide?
N-cyclobutyl-2-(3,4-dichlorophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]acetamide has a molecular weight of 379.29 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-2-(3,4-dichlorophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]acetamide is sourced from PubChem (CID 162379685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).