N-(4-chloro-3-methoxyphenyl)-2-[2-(2-oxo-1,3-oxazolidin-3-yl)ethylamino]acetamide

C14H18ClN3O4 — CID 50953748

IUPACN-(4-chloro-3-methoxyphenyl)-2-[2-(2-oxo-1,3-oxazolidin-3-yl)ethylamino]acetamide
SMILESCOc1cc(NC(=O)CNCCN2CCOC2=O)ccc1Cl
InChIInChI=1S/C14H18ClN3O4/c1-21-12-8-10(2-3-11(12)15)17-13(19)9-16-4-5-18-6-7-22-14(18)20/h2-3,8,16H,4-7,9H2,1H3,(H,17,19)
InChIKeyMQCJUAVKJUACDX-UHFFFAOYSA-N
MW327.77 g/mol
LogP1.33
Rot. Bonds7

About N-(4-chloro-3-methoxyphenyl)-2-[2-(2-oxo-1,3-oxazolidin-3-yl)ethylamino]acetamide

N-(4-chloro-3-methoxyphenyl)-2-[2-(2-oxo-1,3-oxazolidin-3-yl)ethylamino]acetamide (PubChem CID 50953748) has the molecular formula C14H18ClN3O4 and a molecular weight of 327.77 g/mol. Its IUPAC name is N-(4-chloro-3-methoxyphenyl)-2-[2-(2-oxo-1,3-oxazolidin-3-yl)ethylamino]acetamide.

Molecular Properties

Compound NameN-(4-chloro-3-methoxyphenyl)-2-[2-(2-oxo-1,3-oxazolidin-3-yl)ethylamino]acetamide
PubChem CID50953748
Molecular FormulaC14H18ClN3O4
Molecular Weight327.77 g/mol
Exact Mass327.10
IUPAC NameN-(4-chloro-3-methoxyphenyl)-2-[2-(2-oxo-1,3-oxazolidin-3-yl)ethylamino]acetamide
SMILESCOc1cc(NC(=O)CNCCN2CCOC2=O)ccc1Cl
InChIInChI=1S/C14H18ClN3O4/c1-21-12-8-10(2-3-11(12)15)17-13(19)9-16-4-5-18-6-7-22-14(18)20/h2-3,8,16H,4-7,9H2,1H3,(H,17,19)
InChIKeyMQCJUAVKJUACDX-UHFFFAOYSA-N
XLogP1.33
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.77
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 N-(4-chloro-3-methoxyphenyl)-2-[2-(2-oxo-1,3-oxazolidin-3-yl)ethylamino]acetamide?
The IUPAC name of N-(4-chloro-3-methoxyphenyl)-2-[2-(2-oxo-1,3-oxazolidin-3-yl)ethylamino]acetamide (CID 50953748) is N-(4-chloro-3-methoxyphenyl)-2-[2-(2-oxo-1,3-oxazolidin-3-yl)ethylamino]acetamide.
What is the SMILES notation for N-(4-chloro-3-methoxyphenyl)-2-[2-(2-oxo-1,3-oxazolidin-3-yl)ethylamino]acetamide?
The canonical SMILES for N-(4-chloro-3-methoxyphenyl)-2-[2-(2-oxo-1,3-oxazolidin-3-yl)ethylamino]acetamide is COc1cc(NC(=O)CNCCN2CCOC2=O)ccc1Cl.
What is the InChIKey of N-(4-chloro-3-methoxyphenyl)-2-[2-(2-oxo-1,3-oxazolidin-3-yl)ethylamino]acetamide?
The InChIKey is MQCJUAVKJUACDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O4/c1-21-12-8-10(2-3-11(12)15)17-13(19)9-16-4-5-18-6-7-22-14(18)20/h2-3,8,16H,4-7,9H2,1H3,(H,17,19).
What are the key properties of N-(4-chloro-3-methoxyphenyl)-2-[2-(2-oxo-1,3-oxazolidin-3-yl)ethylamino]acetamide?
N-(4-chloro-3-methoxyphenyl)-2-[2-(2-oxo-1,3-oxazolidin-3-yl)ethylamino]acetamide has a molecular weight of 327.77 g/mol, XLogP of 1.33, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-methoxyphenyl)-2-[2-(2-oxo-1,3-oxazolidin-3-yl)ethylamino]acetamide is sourced from PubChem (CID 50953748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).