N-[2-(2,6-dichloroanilino)-2-oxoethyl]butanamide

C12H14Cl2N2O2 — CID 113001397

IUPACN-[2-(2,6-dichloroanilino)-2-oxoethyl]butanamide
SMILESCCCC(=O)NCC(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C12H14Cl2N2O2/c1-2-4-10(17)15-7-11(18)16-12-8(13)5-3-6-9(12)14/h3,5-6H,2,4,7H2,1H3,(H,15,17)(H,16,18)
InChIKeyPCJQOCJMTCEDOZ-UHFFFAOYSA-N
MW289.16 g/mol
LogP2.85
Rot. Bonds5

About N-[2-(2,6-dichloroanilino)-2-oxoethyl]butanamide

N-[2-(2,6-dichloroanilino)-2-oxoethyl]butanamide (PubChem CID 113001397) has the molecular formula C12H14Cl2N2O2 and a molecular weight of 289.16 g/mol. Its IUPAC name is N-[2-(2,6-dichloroanilino)-2-oxoethyl]butanamide.

Molecular Properties

Compound NameN-[2-(2,6-dichloroanilino)-2-oxoethyl]butanamide
PubChem CID113001397
Molecular FormulaC12H14Cl2N2O2
Molecular Weight289.16 g/mol
Exact Mass288.04
IUPAC NameN-[2-(2,6-dichloroanilino)-2-oxoethyl]butanamide
SMILESCCCC(=O)NCC(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C12H14Cl2N2O2/c1-2-4-10(17)15-7-11(18)16-12-8(13)5-3-6-9(12)14/h3,5-6H,2,4,7H2,1H3,(H,15,17)(H,16,18)
InChIKeyPCJQOCJMTCEDOZ-UHFFFAOYSA-N
XLogP2.85
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.16
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl N-[2-(2,6-dichloroanilino)-2-oxoethyl]carbamate
CID 113001448
N-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]butanamide
CID 113000635
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-2-(4-methylphenyl)acetamide
CID 113001445
N-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]butanamide
CID 112998242
N,N'-bis(2,6-dichlorophenyl)butanediamide
CID 1010966
N-(2,6-dichlorophenyl)decanamide
CID 3269237
N'-(2,6-dichlorophenyl)-N-propylpropanediamide
CID 108940761
N-(2,6-dichlorophenyl)-2-(propylsulfonylamino)acetamide
CID 113001455
N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]butanamide
CID 47205683
N,N'-bis(2,6-dichlorophenyl)pentanediamide
CID 1291740
N-[2-(3-acetamidoanilino)-2-oxoethyl]butanamide
CID 47292724
4-tert-butyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]benzamide
CID 113001418

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dichloroanilino)-2-oxoethyl]butanamide?
The IUPAC name of N-[2-(2,6-dichloroanilino)-2-oxoethyl]butanamide (CID 113001397) is N-[2-(2,6-dichloroanilino)-2-oxoethyl]butanamide.
What is the SMILES notation for N-[2-(2,6-dichloroanilino)-2-oxoethyl]butanamide?
The canonical SMILES for N-[2-(2,6-dichloroanilino)-2-oxoethyl]butanamide is CCCC(=O)NCC(=O)Nc1c(Cl)cccc1Cl.
What is the InChIKey of N-[2-(2,6-dichloroanilino)-2-oxoethyl]butanamide?
The InChIKey is PCJQOCJMTCEDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O2/c1-2-4-10(17)15-7-11(18)16-12-8(13)5-3-6-9(12)14/h3,5-6H,2,4,7H2,1H3,(H,15,17)(H,16,18).
What are the key properties of N-[2-(2,6-dichloroanilino)-2-oxoethyl]butanamide?
N-[2-(2,6-dichloroanilino)-2-oxoethyl]butanamide has a molecular weight of 289.16 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dichloroanilino)-2-oxoethyl]butanamide is sourced from PubChem (CID 113001397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).