N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-4-(5-phenyl-1,3-oxazol-2-yl)butanamide

C22H21Cl2N3O3 — CID 55687069

IUPACN-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
SMILESCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)CCCc1ncc(-c2ccccc2)o1
InChIInChI=1S/C22H21Cl2N3O3/c1-27(14-19(28)26-22-16(23)9-5-10-17(22)24)21(29)12-6-11-20-25-13-18(30-20)15-7-3-2-4-8-15/h2-5,7-10,13H,6,11-12,14H2,1H3,(H,26,28)
InChIKeyMMXJMGGPCWUBCU-UHFFFAOYSA-N
MW446.33 g/mol
LogP5.07
Rot. Bonds8

About N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-4-(5-phenyl-1,3-oxazol-2-yl)butanamide

N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-4-(5-phenyl-1,3-oxazol-2-yl)butanamide (PubChem CID 55687069) has the molecular formula C22H21Cl2N3O3 and a molecular weight of 446.33 g/mol. Its IUPAC name is N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-4-(5-phenyl-1,3-oxazol-2-yl)butanamide.

Molecular Properties

Compound NameN-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
PubChem CID55687069
Molecular FormulaC22H21Cl2N3O3
Molecular Weight446.33 g/mol
Exact Mass445.10
IUPAC NameN-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
SMILESCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)CCCc1ncc(-c2ccccc2)o1
InChIInChI=1S/C22H21Cl2N3O3/c1-27(14-19(28)26-22-16(23)9-5-10-17(22)24)21(29)12-6-11-20-25-13-18(30-20)15-7-3-2-4-8-15/h2-5,7-10,13H,6,11-12,14H2,1H3,(H,26,28)
InChIKeyMMXJMGGPCWUBCU-UHFFFAOYSA-N
XLogP5.07
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.33
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-4-(5-phenyl-1,3-oxazol-2-yl)butanamide with MolForge

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Related Compounds

N-(2-anilino-2-oxoethyl)-N-methyl-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 55637742
N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 18137364
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 31927716
N-phenyl-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 38885502
N-(2-chlorophenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 16590370
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-(3-ethynylanilino)-2-oxoethyl]-N-methylpropanamide
CID 60549809
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-3-(2-hydroxyphenyl)-N-methylpropanamide
CID 27807515
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide
CID 55487024
N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 55897982
N-(3-amino-4-methylpentyl)-N-methyl-4-(5-phenyl-1,3-oxazol-2-yl)butanamide;dihydrochloride
CID 119657556
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 38884928
N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 51311777

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-4-(5-phenyl-1,3-oxazol-2-yl)butanamide?
The IUPAC name of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-4-(5-phenyl-1,3-oxazol-2-yl)butanamide (CID 55687069) is N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-4-(5-phenyl-1,3-oxazol-2-yl)butanamide.
What is the SMILES notation for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-4-(5-phenyl-1,3-oxazol-2-yl)butanamide?
The canonical SMILES for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-4-(5-phenyl-1,3-oxazol-2-yl)butanamide is CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)CCCc1ncc(-c2ccccc2)o1.
What is the InChIKey of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-4-(5-phenyl-1,3-oxazol-2-yl)butanamide?
The InChIKey is MMXJMGGPCWUBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21Cl2N3O3/c1-27(14-19(28)26-22-16(23)9-5-10-17(22)24)21(29)12-6-11-20-25-13-18(30-20)15-7-3-2-4-8-15/h2-5,7-10,13H,6,11-12,14H2,1H3,(H,26,28).
What are the key properties of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-4-(5-phenyl-1,3-oxazol-2-yl)butanamide?
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-4-(5-phenyl-1,3-oxazol-2-yl)butanamide has a molecular weight of 446.33 g/mol, XLogP of 5.07, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-4-(5-phenyl-1,3-oxazol-2-yl)butanamide is sourced from PubChem (CID 55687069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).