N-[2-(4-chlorophenyl)ethyl]-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide

C14H17ClN2O3 — CID 47377766

IUPACN-[2-(4-chlorophenyl)ethyl]-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide
SMILESO=C(CCN1CCOC1=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C14H17ClN2O3/c15-12-3-1-11(2-4-12)5-7-16-13(18)6-8-17-9-10-20-14(17)19/h1-4H,5-10H2,(H,16,18)
InChIKeyMQRBOMFBZFAESM-UHFFFAOYSA-N
MW296.75 g/mol
LogP1.84
Rot. Bonds6

About N-[2-(4-chlorophenyl)ethyl]-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide

N-[2-(4-chlorophenyl)ethyl]-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide (PubChem CID 47377766) has the molecular formula C14H17ClN2O3 and a molecular weight of 296.75 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide
PubChem CID47377766
Molecular FormulaC14H17ClN2O3
Molecular Weight296.75 g/mol
Exact Mass296.09
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide
SMILESO=C(CCN1CCOC1=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C14H17ClN2O3/c15-12-3-1-11(2-4-12)5-7-16-13(18)6-8-17-9-10-20-14(17)19/h1-4H,5-10H2,(H,16,18)
InChIKeyMQRBOMFBZFAESM-UHFFFAOYSA-N
XLogP1.84
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-ethylphenyl)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]propanamide
CID 110707230
N-[(4-chlorophenyl)methyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
CID 110686501
N-[2-(4-chlorophenyl)ethyl]-3-pyrrol-1-ylpropanamide
CID 3236679
(3R)-3-(4-chlorophenyl)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-3-phenylpropanamide
CID 42123602
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide
CID 110686958
3-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)propanamide
CID 127118554
2-(4-methylphenyl)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]acetamide
CID 110707245
N-[2-(4-chlorophenyl)ethyl]butanamide
CID 60628099
N-(3,4-difluorophenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide
CID 110686968
3-(5-chloro-1,3-dioxoisoindol-2-yl)-N-[2-(4-chlorophenyl)ethyl]propanamide
CID 113202301
3-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)propanamide
CID 94549604
N-[2-(4-chlorophenyl)ethyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
CID 9453956

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide (CID 47377766) is N-[2-(4-chlorophenyl)ethyl]-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide is O=C(CCN1CCOC1=O)NCCc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide?
The InChIKey is MQRBOMFBZFAESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O3/c15-12-3-1-11(2-4-12)5-7-16-13(18)6-8-17-9-10-20-14(17)19/h1-4H,5-10H2,(H,16,18).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide?
N-[2-(4-chlorophenyl)ethyl]-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide has a molecular weight of 296.75 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide is sourced from PubChem (CID 47377766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).