2-(4-chlorophenyl)-2-hydroxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]acetamide

C16H18ClN3O2 — CID 131945076

IUPAC2-(4-chlorophenyl)-2-hydroxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]acetamide
SMILESCc1cnccc1NCCNC(=O)C(O)c1ccc(Cl)cc1
InChIInChI=1S/C16H18ClN3O2/c1-11-10-18-7-6-14(11)19-8-9-20-16(22)15(21)12-2-4-13(17)5-3-12/h2-7,10,15,21H,8-9H2,1H3,(H,18,19)(H,20,22)
InChIKeyHGJLAOABOGBBIS-UHFFFAOYSA-N
MW319.79 g/mol
LogP2.31
Rot. Bonds6

About 2-(4-chlorophenyl)-2-hydroxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]acetamide

2-(4-chlorophenyl)-2-hydroxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]acetamide (PubChem CID 131945076) has the molecular formula C16H18ClN3O2 and a molecular weight of 319.79 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-hydroxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-hydroxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]acetamide
PubChem CID131945076
Molecular FormulaC16H18ClN3O2
Molecular Weight319.79 g/mol
Exact Mass319.11
IUPAC Name2-(4-chlorophenyl)-2-hydroxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]acetamide
SMILESCc1cnccc1NCCNC(=O)C(O)c1ccc(Cl)cc1
InChIInChI=1S/C16H18ClN3O2/c1-11-10-18-7-6-14(11)19-8-9-20-16(22)15(21)12-2-4-13(17)5-3-12/h2-7,10,15,21H,8-9H2,1H3,(H,18,19)(H,20,22)
InChIKeyHGJLAOABOGBBIS-UHFFFAOYSA-N
XLogP2.31
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-hydroxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-2-hydroxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]acetamide (CID 131945076) is 2-(4-chlorophenyl)-2-hydroxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-2-hydroxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-2-hydroxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]acetamide is Cc1cnccc1NCCNC(=O)C(O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-2-hydroxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]acetamide?
The InChIKey is HGJLAOABOGBBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O2/c1-11-10-18-7-6-14(11)19-8-9-20-16(22)15(21)12-2-4-13(17)5-3-12/h2-7,10,15,21H,8-9H2,1H3,(H,18,19)(H,20,22).
What are the key properties of 2-(4-chlorophenyl)-2-hydroxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]acetamide?
2-(4-chlorophenyl)-2-hydroxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]acetamide has a molecular weight of 319.79 g/mol, XLogP of 2.31, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-hydroxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]acetamide is sourced from PubChem (CID 131945076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).