3-(3-chlorophenyl)-N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]propanamide

C20H19ClN2O4 — CID 91630060

IUPAC3-(3-chlorophenyl)-N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]propanamide
SMILESO=C(CCc1cccc(Cl)c1)NC(CN1C(=O)COC1=O)c1ccccc1
InChIInChI=1S/C20H19ClN2O4/c21-16-8-4-5-14(11-16)9-10-18(24)22-17(15-6-2-1-3-7-15)12-23-19(25)13-27-20(23)26/h1-8,11,17H,9-10,12-13H2,(H,22,24)
InChIKeyNUEKNEADBFCPGB-UHFFFAOYSA-N
MW386.84 g/mol
LogP3.11
Rot. Bonds7

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

3-(3-chlorophenyl)-N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]propanamide (PubChem CID 91630060) has the molecular formula C20H19ClN2O4 and a molecular weight of 386.84 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]propanamide.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]propanamide
PubChem CID91630060
Molecular FormulaC20H19ClN2O4
Molecular Weight386.84 g/mol
Exact Mass386.10
IUPAC Name3-(3-chlorophenyl)-N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]propanamide
SMILESO=C(CCc1cccc(Cl)c1)NC(CN1C(=O)COC1=O)c1ccccc1
InChIInChI=1S/C20H19ClN2O4/c21-16-8-4-5-14(11-16)9-10-18(24)22-17(15-6-2-1-3-7-15)12-23-19(25)13-27-20(23)26/h1-8,11,17H,9-10,12-13H2,(H,22,24)
InChIKeyNUEKNEADBFCPGB-UHFFFAOYSA-N
XLogP3.11
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.84
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-4-oxo-4-phenylbutanamide
CID 100706732
N-[(1R)-2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-2,2-diphenylacetamide
CID 100706719
N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 91630055
N-[(1R)-2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]furan-2-carboxamide
CID 99999145
3-(3-chlorophenyl)-N-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)propanamide
CID 110626084
2-cyclopentylsulfanyl-N-[(1S)-2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]acetamide
CID 100706838
(E)-N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-3-phenylprop-2-enamide
CID 117055084
1-[2-(3-chlorophenyl)ethyl]-3-(2-morpholin-4-yl-1-phenylethyl)urea
CID 42954314
3-[(3R)-1-[3-(3-chlorophenyl)propanoyl]pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione
CID 100727672
3-(3-chlorophenyl)-N-(4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl)propanamide
CID 110625547
1-[(3-chlorophenyl)methyl]-1-methyl-3-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]urea
CID 87005905
N-(2-chloro-1-phenylethyl)-3-(3-methylphenyl)propanamide
CID 114300070

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]propanamide?
The IUPAC name of 3-(3-chlorophenyl)-N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]propanamide (CID 91630060) is 3-(3-chlorophenyl)-N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]propanamide.
What is the SMILES notation for 3-(3-chlorophenyl)-N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]propanamide?
The canonical SMILES for 3-(3-chlorophenyl)-N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]propanamide is O=C(CCc1cccc(Cl)c1)NC(CN1C(=O)COC1=O)c1ccccc1.
What is the InChIKey of 3-(3-chlorophenyl)-N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]propanamide?
The InChIKey is NUEKNEADBFCPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O4/c21-16-8-4-5-14(11-16)9-10-18(24)22-17(15-6-2-1-3-7-15)12-23-19(25)13-27-20(23)26/h1-8,11,17H,9-10,12-13H2,(H,22,24).
What are the key properties of 3-(3-chlorophenyl)-N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]propanamide?
3-(3-chlorophenyl)-N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]propanamide has a molecular weight of 386.84 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]propanamide is sourced from PubChem (CID 91630060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).