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

C17H18Cl2N2O2 — CID 162379704

IUPAC2-(3,4-dichlorophenyl)-N-ethyl-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]acetamide
SMILESCCN(C[C@@H](O)c1cccnc1)C(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H18Cl2N2O2/c1-2-21(11-16(22)13-4-3-7-20-10-13)17(23)9-12-5-6-14(18)15(19)8-12/h3-8,10,16,22H,2,9,11H2,1H3/t16-/m1/s1
InChIKeyVFRWIELOFAENAY-MRXNPFEDSA-N
MW353.25 g/mol
LogP3.51
Rot. Bonds6

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

2-(3,4-dichlorophenyl)-N-ethyl-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]acetamide (PubChem CID 162379704) has the molecular formula C17H18Cl2N2O2 and a molecular weight of 353.25 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-ethyl-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-ethyl-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]acetamide
PubChem CID162379704
Molecular FormulaC17H18Cl2N2O2
Molecular Weight353.25 g/mol
Exact Mass352.07
IUPAC Name2-(3,4-dichlorophenyl)-N-ethyl-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]acetamide
SMILESCCN(C[C@@H](O)c1cccnc1)C(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H18Cl2N2O2/c1-2-21(11-16(22)13-4-3-7-20-10-13)17(23)9-12-5-6-14(18)15(19)8-12/h3-8,10,16,22H,2,9,11H2,1H3/t16-/m1/s1
InChIKeyVFRWIELOFAENAY-MRXNPFEDSA-N
XLogP3.51
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.25
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-ethyl-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]acetamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-ethyl-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]acetamide (CID 162379704) is 2-(3,4-dichlorophenyl)-N-ethyl-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]acetamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-ethyl-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]acetamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-ethyl-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]acetamide is CCN(C[C@@H](O)c1cccnc1)C(=O)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-ethyl-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]acetamide?
The InChIKey is VFRWIELOFAENAY-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H18Cl2N2O2/c1-2-21(11-16(22)13-4-3-7-20-10-13)17(23)9-12-5-6-14(18)15(19)8-12/h3-8,10,16,22H,2,9,11H2,1H3/t16-/m1/s1.
What are the key properties of 2-(3,4-dichlorophenyl)-N-ethyl-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]acetamide?
2-(3,4-dichlorophenyl)-N-ethyl-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]acetamide has a molecular weight of 353.25 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-ethyl-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]acetamide is sourced from PubChem (CID 162379704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).