4-(2,5-dichloro-4-methylanilino)-N-methylbutanamide

C12H16Cl2N2O — CID 113445823

IUPAC4-(2,5-dichloro-4-methylanilino)-N-methylbutanamide
SMILESCNC(=O)CCCNc1cc(Cl)c(C)cc1Cl
InChIInChI=1S/C12H16Cl2N2O/c1-8-6-10(14)11(7-9(8)13)16-5-3-4-12(17)15-2/h6-7,16H,3-5H2,1-2H3,(H,15,17)
InChIKeyRGETWUYFEIPQPH-UHFFFAOYSA-N
MW275.18 g/mol
LogP3.24
Rot. Bonds5

About 4-(2,5-dichloro-4-methylanilino)-N-methylbutanamide

4-(2,5-dichloro-4-methylanilino)-N-methylbutanamide (PubChem CID 113445823) has the molecular formula C12H16Cl2N2O and a molecular weight of 275.18 g/mol. Its IUPAC name is 4-(2,5-dichloro-4-methylanilino)-N-methylbutanamide.

Molecular Properties

Compound Name4-(2,5-dichloro-4-methylanilino)-N-methylbutanamide
PubChem CID113445823
Molecular FormulaC12H16Cl2N2O
Molecular Weight275.18 g/mol
Exact Mass274.06
IUPAC Name4-(2,5-dichloro-4-methylanilino)-N-methylbutanamide
SMILESCNC(=O)CCCNc1cc(Cl)c(C)cc1Cl
InChIInChI=1S/C12H16Cl2N2O/c1-8-6-10(14)11(7-9(8)13)16-5-3-4-12(17)15-2/h6-7,16H,3-5H2,1-2H3,(H,15,17)
InChIKeyRGETWUYFEIPQPH-UHFFFAOYSA-N
XLogP3.24
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.18
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2,5-dichloro-4-methylanilino)butanoic acid
CID 104726866
2,5-dichloro-4-methyl-N-octylaniline
CID 113445759
2,5-dichloro-N-(3-ethylsulfonylpropyl)-4-methylaniline
CID 115969674
2,5-dichloro-N-(3,3-dimethylbutyl)-4-methylaniline
CID 104726565
2,5-dichloro-N-(2-methoxyethyl)-4-methylaniline
CID 104726849
methyl 4-(4-chloro-2-methoxy-5-methylanilino)butanoate
CID 43377816
5-(2,5-dichloro-4-methylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 104727352
4-[4-chloro-3-(trifluoromethyl)anilino]-N-methylbutanamide
CID 63892047
4-(2-iodoanilino)-N-methylbutanamide
CID 63891619
4-amino-N-(2,5-dichloro-4-methylphenyl)-4-methylpentanamide
CID 104727177
N-(2,5-dichloro-4-methylphenyl)acetamide
CID 112703957
N-(5-chloro-2-methoxy-4-methylphenyl)-4-hydroxybutanamide
CID 115162783

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dichloro-4-methylanilino)-N-methylbutanamide?
The IUPAC name of 4-(2,5-dichloro-4-methylanilino)-N-methylbutanamide (CID 113445823) is 4-(2,5-dichloro-4-methylanilino)-N-methylbutanamide.
What is the SMILES notation for 4-(2,5-dichloro-4-methylanilino)-N-methylbutanamide?
The canonical SMILES for 4-(2,5-dichloro-4-methylanilino)-N-methylbutanamide is CNC(=O)CCCNc1cc(Cl)c(C)cc1Cl.
What is the InChIKey of 4-(2,5-dichloro-4-methylanilino)-N-methylbutanamide?
The InChIKey is RGETWUYFEIPQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O/c1-8-6-10(14)11(7-9(8)13)16-5-3-4-12(17)15-2/h6-7,16H,3-5H2,1-2H3,(H,15,17).
What are the key properties of 4-(2,5-dichloro-4-methylanilino)-N-methylbutanamide?
4-(2,5-dichloro-4-methylanilino)-N-methylbutanamide has a molecular weight of 275.18 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dichloro-4-methylanilino)-N-methylbutanamide is sourced from PubChem (CID 113445823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).