N-[[3-(3-chloro-4-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-phenylacetamide

C19H19ClN2O4 — CID 110328345

IUPACN-[[3-(3-chloro-4-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-phenylacetamide
SMILESCOc1ccc(N2CC(CNC(=O)Cc3ccccc3)OC2=O)cc1Cl
InChIInChI=1S/C19H19ClN2O4/c1-25-17-8-7-14(10-16(17)20)22-12-15(26-19(22)24)11-21-18(23)9-13-5-3-2-4-6-13/h2-8,10,15H,9,11-12H2,1H3,(H,21,23)
InChIKeyARWWLSDAYHFGDP-UHFFFAOYSA-N
MW374.82 g/mol
LogP3.03
Rot. Bonds6

About N-[[3-(3-chloro-4-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-phenylacetamide

N-[[3-(3-chloro-4-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-phenylacetamide (PubChem CID 110328345) has the molecular formula C19H19ClN2O4 and a molecular weight of 374.82 g/mol. Its IUPAC name is N-[[3-(3-chloro-4-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[[3-(3-chloro-4-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-phenylacetamide
PubChem CID110328345
Molecular FormulaC19H19ClN2O4
Molecular Weight374.82 g/mol
Exact Mass374.10
IUPAC NameN-[[3-(3-chloro-4-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-phenylacetamide
SMILESCOc1ccc(N2CC(CNC(=O)Cc3ccccc3)OC2=O)cc1Cl
InChIInChI=1S/C19H19ClN2O4/c1-25-17-8-7-14(10-16(17)20)22-12-15(26-19(22)24)11-21-18(23)9-13-5-3-2-4-6-13/h2-8,10,15H,9,11-12H2,1H3,(H,21,23)
InChIKeyARWWLSDAYHFGDP-UHFFFAOYSA-N
XLogP3.03
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.82
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-chloro-4-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-phenylacetamide?
The IUPAC name of N-[[3-(3-chloro-4-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-phenylacetamide (CID 110328345) is N-[[3-(3-chloro-4-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-phenylacetamide.
What is the SMILES notation for N-[[3-(3-chloro-4-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-phenylacetamide?
The canonical SMILES for N-[[3-(3-chloro-4-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-phenylacetamide is COc1ccc(N2CC(CNC(=O)Cc3ccccc3)OC2=O)cc1Cl.
What is the InChIKey of N-[[3-(3-chloro-4-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-phenylacetamide?
The InChIKey is ARWWLSDAYHFGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O4/c1-25-17-8-7-14(10-16(17)20)22-12-15(26-19(22)24)11-21-18(23)9-13-5-3-2-4-6-13/h2-8,10,15H,9,11-12H2,1H3,(H,21,23).
What are the key properties of N-[[3-(3-chloro-4-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-phenylacetamide?
N-[[3-(3-chloro-4-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-phenylacetamide has a molecular weight of 374.82 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-chloro-4-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-phenylacetamide is sourced from PubChem (CID 110328345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).