2-(3,4-dichlorophenyl)-N-[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]acetamide

C16H16Cl2N2O2 — CID 24765210

IUPAC2-(3,4-dichlorophenyl)-N-[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]acetamide
SMILESCOc1ccc([C@@H](C)NC(=O)Cc2ccc(Cl)c(Cl)c2)nc1
InChIInChI=1S/C16H16Cl2N2O2/c1-10(15-6-4-12(22-2)9-19-15)20-16(21)8-11-3-5-13(17)14(18)7-11/h3-7,9-10H,8H2,1-2H3,(H,20,21)/t10-/m1/s1
InChIKeyWCTBJCFOTPQBJY-SNVBAGLBSA-N
MW339.22 g/mol
LogP3.82
Rot. Bonds5

About 2-(3,4-dichlorophenyl)-N-[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]acetamide

2-(3,4-dichlorophenyl)-N-[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]acetamide (PubChem CID 24765210) has the molecular formula C16H16Cl2N2O2 and a molecular weight of 339.22 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]acetamide
PubChem CID24765210
Molecular FormulaC16H16Cl2N2O2
Molecular Weight339.22 g/mol
Exact Mass338.06
IUPAC Name2-(3,4-dichlorophenyl)-N-[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]acetamide
SMILESCOc1ccc([C@@H](C)NC(=O)Cc2ccc(Cl)c(Cl)c2)nc1
InChIInChI=1S/C16H16Cl2N2O2/c1-10(15-6-4-12(22-2)9-19-15)20-16(21)8-11-3-5-13(17)14(18)7-11/h3-7,9-10H,8H2,1-2H3,(H,20,21)/t10-/m1/s1
InChIKeyWCTBJCFOTPQBJY-SNVBAGLBSA-N
XLogP3.82
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.22
LogP ≤ 53.82
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-[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]acetamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]acetamide (CID 24765210) is 2-(3,4-dichlorophenyl)-N-[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]acetamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]acetamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]acetamide is COc1ccc([C@@H](C)NC(=O)Cc2ccc(Cl)c(Cl)c2)nc1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]acetamide?
The InChIKey is WCTBJCFOTPQBJY-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H16Cl2N2O2/c1-10(15-6-4-12(22-2)9-19-15)20-16(21)8-11-3-5-13(17)14(18)7-11/h3-7,9-10H,8H2,1-2H3,(H,20,21)/t10-/m1/s1.
What are the key properties of 2-(3,4-dichlorophenyl)-N-[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]acetamide?
2-(3,4-dichlorophenyl)-N-[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]acetamide has a molecular weight of 339.22 g/mol, XLogP of 3.82, 5 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-[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]acetamide is sourced from PubChem (CID 24765210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).