N-(3-chloro-4-methylphenyl)-3-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)propanamide

C14H17ClN2O3 — CID 110685441

IUPACN-(3-chloro-4-methylphenyl)-3-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)propanamide
SMILESCc1ccc(NC(=O)CCC2CN(C)C(=O)O2)cc1Cl
InChIInChI=1S/C14H17ClN2O3/c1-9-3-4-10(7-12(9)15)16-13(18)6-5-11-8-17(2)14(19)20-11/h3-4,7,11H,5-6,8H2,1-2H3,(H,16,18)
InChIKeyKJEZCKBLOCCHTR-UHFFFAOYSA-N
MW296.75 g/mol
LogP2.82
Rot. Bonds4

About N-(3-chloro-4-methylphenyl)-3-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)propanamide

N-(3-chloro-4-methylphenyl)-3-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)propanamide (PubChem CID 110685441) has the molecular formula C14H17ClN2O3 and a molecular weight of 296.75 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-3-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)propanamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-3-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)propanamide
PubChem CID110685441
Molecular FormulaC14H17ClN2O3
Molecular Weight296.75 g/mol
Exact Mass296.09
IUPAC NameN-(3-chloro-4-methylphenyl)-3-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)propanamide
SMILESCc1ccc(NC(=O)CCC2CN(C)C(=O)O2)cc1Cl
InChIInChI=1S/C14H17ClN2O3/c1-9-3-4-10(7-12(9)15)16-13(18)6-5-11-8-17(2)14(19)20-11/h3-4,7,11H,5-6,8H2,1-2H3,(H,16,18)
InChIKeyKJEZCKBLOCCHTR-UHFFFAOYSA-N
XLogP2.82
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(3-chloro-4-methylphenyl)-3-[(1R,2R,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]propanamide
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4-amino-N-(3-chloro-4-methylphenyl)pentanamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-3-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)propanamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-3-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)propanamide (CID 110685441) is N-(3-chloro-4-methylphenyl)-3-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)propanamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-3-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)propanamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-3-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)propanamide is Cc1ccc(NC(=O)CCC2CN(C)C(=O)O2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-3-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)propanamide?
The InChIKey is KJEZCKBLOCCHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O3/c1-9-3-4-10(7-12(9)15)16-13(18)6-5-11-8-17(2)14(19)20-11/h3-4,7,11H,5-6,8H2,1-2H3,(H,16,18).
What are the key properties of N-(3-chloro-4-methylphenyl)-3-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)propanamide?
N-(3-chloro-4-methylphenyl)-3-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)propanamide has a molecular weight of 296.75 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-3-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)propanamide is sourced from PubChem (CID 110685441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).