N-(2-amino-2-oxoethyl)-4-[2-[5-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-3-yl]propyl]benzamide

C21H22ClN3O4 — CID 14279414

IUPACN-(2-amino-2-oxoethyl)-4-[2-[5-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-3-yl]propyl]benzamide
SMILESCC(Cc1ccc(C(=O)NCC(N)=O)cc1)N1CC(c2cccc(Cl)c2)OC1=O
InChIInChI=1S/C21H22ClN3O4/c1-13(9-14-5-7-15(8-6-14)20(27)24-11-19(23)26)25-12-18(29-21(25)28)16-3-2-4-17(22)10-16/h2-8,10,13,18H,9,11-12H2,1H3,(H2,23,26)(H,24,27)
InChIKeyWMDJEHRUZSXRNE-UHFFFAOYSA-N
MW415.88 g/mol
LogP2.68
Rot. Bonds7

About N-(2-amino-2-oxoethyl)-4-[2-[5-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-3-yl]propyl]benzamide

N-(2-amino-2-oxoethyl)-4-[2-[5-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-3-yl]propyl]benzamide (PubChem CID 14279414) has the molecular formula C21H22ClN3O4 and a molecular weight of 415.88 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-4-[2-[5-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-3-yl]propyl]benzamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-4-[2-[5-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-3-yl]propyl]benzamide
PubChem CID14279414
Molecular FormulaC21H22ClN3O4
Molecular Weight415.88 g/mol
Exact Mass415.13
IUPAC NameN-(2-amino-2-oxoethyl)-4-[2-[5-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-3-yl]propyl]benzamide
SMILESCC(Cc1ccc(C(=O)NCC(N)=O)cc1)N1CC(c2cccc(Cl)c2)OC1=O
InChIInChI=1S/C21H22ClN3O4/c1-13(9-14-5-7-15(8-6-14)20(27)24-11-19(23)26)25-12-18(29-21(25)28)16-3-2-4-17(22)10-16/h2-8,10,13,18H,9,11-12H2,1H3,(H2,23,26)(H,24,27)
InChIKeyWMDJEHRUZSXRNE-UHFFFAOYSA-N
XLogP2.68
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.88
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(5R)-5-(3-chlorophenyl)-3-[(2S)-1-(3,4-dihydroxyphenyl)propan-2-yl]-1,3-oxazolidin-2-one
CID 67823889
methyl 2-[[3-[(2S)-2-[(5R)-5-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-3-yl]propyl]-1H-indol-7-yl]oxy]acetate
CID 11166645
(5R)-5-(3-chlorophenyl)-3-ethyl-1,3-oxazolidin-2-one
CID 70899680
methyl 6-[(2S)-2-(2-oxo-5-phenyl-1,3-oxazolidin-3-yl)propyl]-2,3-dihydro-1,4-benzodioxine-2-carboxylate
CID 70107118
methyl (2R)-2-[(2R)-2-(3-chlorophenyl)-5-oxomorpholin-4-yl]propanoate
CID 139647185
3-(2-aminoethyl)-5-(3-chlorophenyl)-1,3-oxazolidin-2-one
CID 82084550
methyl 2-[4-[2-[5-(3-chlorophenyl)-1,3-oxazolidin-3-yl]propyl]phenoxy]acetate
CID 10572446
4-chloro-N-[2-(2-oxo-5-phenyl-1,3-oxazolidin-3-yl)ethyl]benzamide
CID 110707134
5-(3-chlorophenyl)-3-cyclopropyl-1,3-oxazolidin-2-one
CID 82083954
N-(2-amino-2-oxoethyl)-4-ethylbenzamide
CID 60668438
N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 55737001
4-[[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]methyl]-N-(2-amino-2-oxoethyl)benzamide;hydrochloride
CID 119713155

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-4-[2-[5-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-3-yl]propyl]benzamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-4-[2-[5-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-3-yl]propyl]benzamide (CID 14279414) is N-(2-amino-2-oxoethyl)-4-[2-[5-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-3-yl]propyl]benzamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-4-[2-[5-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-3-yl]propyl]benzamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-4-[2-[5-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-3-yl]propyl]benzamide is CC(Cc1ccc(C(=O)NCC(N)=O)cc1)N1CC(c2cccc(Cl)c2)OC1=O.
What is the InChIKey of N-(2-amino-2-oxoethyl)-4-[2-[5-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-3-yl]propyl]benzamide?
The InChIKey is WMDJEHRUZSXRNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O4/c1-13(9-14-5-7-15(8-6-14)20(27)24-11-19(23)26)25-12-18(29-21(25)28)16-3-2-4-17(22)10-16/h2-8,10,13,18H,9,11-12H2,1H3,(H2,23,26)(H,24,27).
What are the key properties of N-(2-amino-2-oxoethyl)-4-[2-[5-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-3-yl]propyl]benzamide?
N-(2-amino-2-oxoethyl)-4-[2-[5-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-3-yl]propyl]benzamide has a molecular weight of 415.88 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-4-[2-[5-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-3-yl]propyl]benzamide is sourced from PubChem (CID 14279414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).