2-(4-chlorophenyl)-N-[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]acetamide

C16H17ClN2O2 — CID 53317091

IUPAC2-(4-chlorophenyl)-N-[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]acetamide
SMILESCOc1ccc([C@@H](C)NC(=O)Cc2ccc(Cl)cc2)nc1
InChIInChI=1S/C16H17ClN2O2/c1-11(15-8-7-14(21-2)10-18-15)19-16(20)9-12-3-5-13(17)6-4-12/h3-8,10-11H,9H2,1-2H3,(H,19,20)/t11-/m1/s1
InChIKeyMRZDFEKKKGUVMD-LLVKDONJSA-N
MW304.78 g/mol
LogP3.16
Rot. Bonds5

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

2-(4-chlorophenyl)-N-[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]acetamide (PubChem CID 53317091) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]acetamide
PubChem CID53317091
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name2-(4-chlorophenyl)-N-[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]acetamide
SMILESCOc1ccc([C@@H](C)NC(=O)Cc2ccc(Cl)cc2)nc1
InChIInChI=1S/C16H17ClN2O2/c1-11(15-8-7-14(21-2)10-18-15)19-16(20)9-12-3-5-13(17)6-4-12/h3-8,10-11H,9H2,1-2H3,(H,19,20)/t11-/m1/s1
InChIKeyMRZDFEKKKGUVMD-LLVKDONJSA-N
XLogP3.16
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]acetamide (CID 53317091) is 2-(4-chlorophenyl)-N-[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]acetamide is COc1ccc([C@@H](C)NC(=O)Cc2ccc(Cl)cc2)nc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]acetamide?
The InChIKey is MRZDFEKKKGUVMD-LLVKDONJSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-11(15-8-7-14(21-2)10-18-15)19-16(20)9-12-3-5-13(17)6-4-12/h3-8,10-11H,9H2,1-2H3,(H,19,20)/t11-/m1/s1.
What are the key properties of 2-(4-chlorophenyl)-N-[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]acetamide?
2-(4-chlorophenyl)-N-[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]acetamide has a molecular weight of 304.78 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]acetamide is sourced from PubChem (CID 53317091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).