N-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]butanamide

C14H19ClN2O2 — CID 112998242

IUPACN-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]butanamide
SMILESCCCC(=O)NCC(=O)Nc1c(C)cc(C)cc1Cl
InChIInChI=1S/C14H19ClN2O2/c1-4-5-12(18)16-8-13(19)17-14-10(3)6-9(2)7-11(14)15/h6-7H,4-5,8H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyNSPUGZWUJCCQBA-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.81
Rot. Bonds5

About N-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]butanamide

N-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]butanamide (PubChem CID 112998242) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is N-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]butanamide.

Molecular Properties

Compound NameN-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]butanamide
PubChem CID112998242
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC NameN-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]butanamide
SMILESCCCC(=O)NCC(=O)Nc1c(C)cc(C)cc1Cl
InChIInChI=1S/C14H19ClN2O2/c1-4-5-12(18)16-8-13(19)17-14-10(3)6-9(2)7-11(14)15/h6-7H,4-5,8H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyNSPUGZWUJCCQBA-UHFFFAOYSA-N
XLogP2.81
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chloro-4,6-dimethylphenyl)-2-(methylamino)acetamide
CID 83537406
N-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-3-phenoxypropanamide
CID 112998279
N-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-2-(2-methylphenyl)acetamide
CID 112998293
2-chloro-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 2110931
N-[2-(2,6-dichloroanilino)-2-oxoethyl]butanamide
CID 113001397
2-bromo-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 81223490
N-(2-chloro-4,6-dimethylphenyl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide
CID 19178203
3-[[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]amino]propanoic acid
CID 43466438
2-[[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 9289324
4-bromo-N-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]benzamide
CID 112998260
N-(2-chloro-4,6-dimethylphenyl)-2-[(2-phenoxyacetyl)amino]acetamide
CID 112998277
N-(2-chloro-4,6-dimethylphenyl)-5-hydroxypentanamide
CID 79018968

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]butanamide?
The IUPAC name of N-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]butanamide (CID 112998242) is N-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]butanamide.
What is the SMILES notation for N-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]butanamide?
The canonical SMILES for N-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]butanamide is CCCC(=O)NCC(=O)Nc1c(C)cc(C)cc1Cl.
What is the InChIKey of N-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]butanamide?
The InChIKey is NSPUGZWUJCCQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-4-5-12(18)16-8-13(19)17-14-10(3)6-9(2)7-11(14)15/h6-7H,4-5,8H2,1-3H3,(H,16,18)(H,17,19).
What are the key properties of N-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]butanamide?
N-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]butanamide has a molecular weight of 282.77 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]butanamide is sourced from PubChem (CID 112998242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).