N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetamide

C19H17ClN4O4 — CID 48729994

IUPACN-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetamide
SMILESCN(CC(=O)Nc1ccccc1Cl)C(=O)Cn1c(-c2ccccc2)noc1=O
InChIInChI=1S/C19H17ClN4O4/c1-23(11-16(25)21-15-10-6-5-9-14(15)20)17(26)12-24-18(22-28-19(24)27)13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,21,25)
InChIKeyCZIQERGJHYWSPB-UHFFFAOYSA-N
MW400.82 g/mol
LogP2.25
Rot. Bonds6

About N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetamide

N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetamide (PubChem CID 48729994) has the molecular formula C19H17ClN4O4 and a molecular weight of 400.82 g/mol. Its IUPAC name is N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetamide
PubChem CID48729994
Molecular FormulaC19H17ClN4O4
Molecular Weight400.82 g/mol
Exact Mass400.09
IUPAC NameN-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetamide
SMILESCN(CC(=O)Nc1ccccc1Cl)C(=O)Cn1c(-c2ccccc2)noc1=O
InChIInChI=1S/C19H17ClN4O4/c1-23(11-16(25)21-15-10-6-5-9-14(15)20)17(26)12-24-18(22-28-19(24)27)13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,21,25)
InChIKeyCZIQERGJHYWSPB-UHFFFAOYSA-N
XLogP2.25
TPSA97.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.82
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-Azepan-1-yl-phenyl)-2-(5-oxo-3-phenyl-[1,2,4]oxadiazol-4-yl)-acetamide
CID 645898
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CID 656224
N-(3-chloro-2-methylphenyl)-2-[3-(4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-4-yl]acetamide
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CID 42918196
N-(2-chloro-4-methylphenyl)-2-[2-(4-fluorophenyl)-4-methyl-6-oxopyrimidin-1(6H)-yl]acetamide
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2-[2-(4-Chlorophenyl)-4-methyl-6-oxopyrimidin-1-YL]-N-(2-fluorophenyl)acetamide
CID 91887518
1-(2-Chlorophenyl)-3-[[2-(5-oxo-1-pentyl-3-phenyl-1,2,4-triazol-4-yl)acetyl]amino]urea
CID 172441449
2-[2-(4-Chlorophenyl)-4-methyl-6-oxo-1,6-dihydropyrimidin-1-YL]-N-(2-methylphenyl)acetamide
CID 91887513
N-(2,3-dichlorophenyl)-2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetamide
CID 1434998
N1-(2-chlorophenyl)-N2-(4-(dimethylamino)phenethyl)oxalamide
CID 16891537
N1-(2-chlorophenyl)-N2-(3-(4-(dimethylamino)phenyl)propyl)oxalamide
CID 16892038
2-[7-benzyl-2-(4-methylphenyl)-4-oxo-3H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-3-yl]-N-(2-chlorophenyl)acetamide
CID 49674333

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetamide?
The IUPAC name of N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetamide (CID 48729994) is N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetamide.
What is the SMILES notation for N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetamide?
The canonical SMILES for N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetamide is CN(CC(=O)Nc1ccccc1Cl)C(=O)Cn1c(-c2ccccc2)noc1=O.
What is the InChIKey of N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetamide?
The InChIKey is CZIQERGJHYWSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O4/c1-23(11-16(25)21-15-10-6-5-9-14(15)20)17(26)12-24-18(22-28-19(24)27)13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,21,25).
What are the key properties of N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetamide?
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetamide has a molecular weight of 400.82 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetamide is sourced from PubChem (CID 48729994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).