4-amino-N-(2,5-dichloro-4-methylphenyl)-4-methylpentanamide

C13H18Cl2N2O — CID 104727177

IUPAC4-amino-N-(2,5-dichloro-4-methylphenyl)-4-methylpentanamide
SMILESCc1cc(Cl)c(NC(=O)CCC(C)(C)N)cc1Cl
InChIInChI=1S/C13H18Cl2N2O/c1-8-6-10(15)11(7-9(8)14)17-12(18)4-5-13(2,3)16/h6-7H,4-5,16H2,1-3H3,(H,17,18)
InChIKeyBSRUXXRABGAPOF-UHFFFAOYSA-N
MW289.21 g/mol
LogP3.76
Rot. Bonds4

About 4-amino-N-(2,5-dichloro-4-methylphenyl)-4-methylpentanamide

4-amino-N-(2,5-dichloro-4-methylphenyl)-4-methylpentanamide (PubChem CID 104727177) has the molecular formula C13H18Cl2N2O and a molecular weight of 289.21 g/mol. Its IUPAC name is 4-amino-N-(2,5-dichloro-4-methylphenyl)-4-methylpentanamide.

Molecular Properties

Compound Name4-amino-N-(2,5-dichloro-4-methylphenyl)-4-methylpentanamide
PubChem CID104727177
Molecular FormulaC13H18Cl2N2O
Molecular Weight289.21 g/mol
Exact Mass288.08
IUPAC Name4-amino-N-(2,5-dichloro-4-methylphenyl)-4-methylpentanamide
SMILESCc1cc(Cl)c(NC(=O)CCC(C)(C)N)cc1Cl
InChIInChI=1S/C13H18Cl2N2O/c1-8-6-10(15)11(7-9(8)14)17-12(18)4-5-13(2,3)16/h6-7H,4-5,16H2,1-3H3,(H,17,18)
InChIKeyBSRUXXRABGAPOF-UHFFFAOYSA-N
XLogP3.76
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.21
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-aminoethyl)-N-(2,5-dichloro-4-methylphenyl)-5-methylhexanamide
CID 104727149
N-(2,5-dichloro-4-methylphenyl)-2-(ethylamino)acetamide
CID 104727030
(3Z)-3-amino-N-(2,5-dichloro-4-methylphenyl)-3-hydroxyiminopropanamide
CID 104727903
N-(2,5-dichloro-4-methylphenyl)acetamide
CID 112703957
4-amino-N-(4-chloro-3-pyridinyl)-4-methylpentanamide
CID 83167037
4-(2,5-dichloro-4-methylanilino)-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 104725932
4-amino-N-(6-chloro-5-methyl-3-pyridinyl)-4-methylpentanamide
CID 103811545
N-(2,5-dichloro-4-methylphenyl)-2-(ethylamino)-2-methylpropanamide
CID 104727045
3-amino-N-(2,5-dichloro-4-methylphenyl)hexanamide
CID 104727161
3-(2,5-dichloro-4-methylanilino)-2,2-dimethyl-3-oxopropanoic acid
CID 104727936
2-(2-amino-1,3-thiazol-4-yl)-N-(2,5-dichloro-4-methylphenyl)acetamide
CID 104727137
N-(2,5-dichloro-4-methylphenyl)-2-propoxyacetamide
CID 103841314

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,5-dichloro-4-methylphenyl)-4-methylpentanamide?
The IUPAC name of 4-amino-N-(2,5-dichloro-4-methylphenyl)-4-methylpentanamide (CID 104727177) is 4-amino-N-(2,5-dichloro-4-methylphenyl)-4-methylpentanamide.
What is the SMILES notation for 4-amino-N-(2,5-dichloro-4-methylphenyl)-4-methylpentanamide?
The canonical SMILES for 4-amino-N-(2,5-dichloro-4-methylphenyl)-4-methylpentanamide is Cc1cc(Cl)c(NC(=O)CCC(C)(C)N)cc1Cl.
What is the InChIKey of 4-amino-N-(2,5-dichloro-4-methylphenyl)-4-methylpentanamide?
The InChIKey is BSRUXXRABGAPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O/c1-8-6-10(15)11(7-9(8)14)17-12(18)4-5-13(2,3)16/h6-7H,4-5,16H2,1-3H3,(H,17,18).
What are the key properties of 4-amino-N-(2,5-dichloro-4-methylphenyl)-4-methylpentanamide?
4-amino-N-(2,5-dichloro-4-methylphenyl)-4-methylpentanamide has a molecular weight of 289.21 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,5-dichloro-4-methylphenyl)-4-methylpentanamide is sourced from PubChem (CID 104727177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).