N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide

C21H19Cl2N3O3 — CID 24627458

IUPACN-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
SMILESCc1oc(-c2ccccc2)nc1CC(=O)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C21H19Cl2N3O3/c1-13-18(25-21(29-13)14-6-4-3-5-7-14)11-20(28)26(2)12-19(27)24-15-8-9-16(22)17(23)10-15/h3-10H,11-12H2,1-2H3,(H,24,27)
InChIKeyPWWOKJOBLNNSEU-UHFFFAOYSA-N
MW432.31 g/mol
LogP4.60
Rot. Bonds6

About N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide

N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide (PubChem CID 24627458) has the molecular formula C21H19Cl2N3O3 and a molecular weight of 432.31 g/mol. Its IUPAC name is N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
PubChem CID24627458
Molecular FormulaC21H19Cl2N3O3
Molecular Weight432.31 g/mol
Exact Mass431.08
IUPAC NameN-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
SMILESCc1oc(-c2ccccc2)nc1CC(=O)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C21H19Cl2N3O3/c1-13-18(25-21(29-13)14-6-4-3-5-7-14)11-20(28)26(2)12-19(27)24-15-8-9-16(22)17(23)10-15/h3-10H,11-12H2,1-2H3,(H,24,27)
InChIKeyPWWOKJOBLNNSEU-UHFFFAOYSA-N
XLogP4.60
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.31
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-chloroanilino)-2-oxoethyl]-N-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 38789403
N-(3-chloro-4-methoxyphenyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 16614455
N-(3-chloro-4-fluorophenyl)-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanamide
CID 110650112
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 16620648
2-hydroxy-4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzoic acid
CID 22087427
N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 16622271
N-(3,4-dichlorophenyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 31701072
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylbenzamide
CID 7718956
4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzamide
CID 16620994
N-(2-chloro-4,6-dimethylphenyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 16621749
N-(4-methyl-3-nitrophenyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 31869311
[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 7726407

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide?
The IUPAC name of N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide (CID 24627458) is N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide.
What is the SMILES notation for N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide?
The canonical SMILES for N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide is Cc1oc(-c2ccccc2)nc1CC(=O)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide?
The InChIKey is PWWOKJOBLNNSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl2N3O3/c1-13-18(25-21(29-13)14-6-4-3-5-7-14)11-20(28)26(2)12-19(27)24-15-8-9-16(22)17(23)10-15/h3-10H,11-12H2,1-2H3,(H,24,27).
What are the key properties of N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide?
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide has a molecular weight of 432.31 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide is sourced from PubChem (CID 24627458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).