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

C14H17ClN2O5 — CID 110686963

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide
SMILESCOc1cc(NC(=O)CCN2CCOC2=O)c(OC)cc1Cl
InChIInChI=1S/C14H17ClN2O5/c1-20-11-8-10(12(21-2)7-9(11)15)16-13(18)3-4-17-5-6-22-14(17)19/h7-8H,3-6H2,1-2H3,(H,16,18)
InChIKeyBOEDGHUNVKTWPZ-UHFFFAOYSA-N
MW328.75 g/mol
LogP2.14
Rot. Bonds6

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

N-(4-chloro-2,5-dimethoxyphenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide (PubChem CID 110686963) has the molecular formula C14H17ClN2O5 and a molecular weight of 328.75 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide
PubChem CID110686963
Molecular FormulaC14H17ClN2O5
Molecular Weight328.75 g/mol
Exact Mass328.08
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide
SMILESCOc1cc(NC(=O)CCN2CCOC2=O)c(OC)cc1Cl
InChIInChI=1S/C14H17ClN2O5/c1-20-11-8-10(12(21-2)7-9(11)15)16-13(18)3-4-17-5-6-22-14(17)19/h7-8H,3-6H2,1-2H3,(H,16,18)
InChIKeyBOEDGHUNVKTWPZ-UHFFFAOYSA-N
XLogP2.14
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.75
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-acetylpiperazin-1-yl)-N-(4-chloro-2,5-dimethoxyphenyl)-4-oxobutanamide
CID 9162779
(2S)-1-[3-(4-chloro-2,5-dimethoxyanilino)-3-oxopropyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119910796
N-(2-methoxy-5-methylphenyl)-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
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N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide
CID 110686957
2-(azepan-1-yl)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
CID 6469154
N-(4-chloro-2,5-dimethoxyphenyl)-3-(4-methylpyrazol-1-yl)propanamide
CID 87044058
N-(4-chloro-2,5-dimethoxyphenyl)-3-(5-methyltetrazol-1-yl)propanamide
CID 122148587
N-(4-chloro-2,5-dimethoxyphenyl)-4-(methylamino)butanamide
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N-(4-chloro-2,5-dimethoxyphenyl)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 30444435
N-(3-acetamidophenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide
CID 110686933
N-(4-chloro-2,5-dimethoxyphenyl)-2-(4-morpholin-4-ylphenyl)acetamide
CID 110427902
N-(4-chloro-2-methylphenyl)-3-(2-oxo-1,3-oxazinan-3-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide (CID 110686963) is N-(4-chloro-2,5-dimethoxyphenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide is COc1cc(NC(=O)CCN2CCOC2=O)c(OC)cc1Cl.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide?
The InChIKey is BOEDGHUNVKTWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O5/c1-20-11-8-10(12(21-2)7-9(11)15)16-13(18)3-4-17-5-6-22-14(17)19/h7-8H,3-6H2,1-2H3,(H,16,18).
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide?
N-(4-chloro-2,5-dimethoxyphenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide has a molecular weight of 328.75 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,5-dimethoxyphenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide is sourced from PubChem (CID 110686963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).