3-amino-N-(2,5-dichloro-4-methylphenyl)hexanamide

C13H18Cl2N2O — CID 104727161

IUPAC3-amino-N-(2,5-dichloro-4-methylphenyl)hexanamide
SMILESCCCC(N)CC(=O)Nc1cc(Cl)c(C)cc1Cl
InChIInChI=1S/C13H18Cl2N2O/c1-3-4-9(16)6-13(18)17-12-7-10(14)8(2)5-11(12)15/h5,7,9H,3-4,6,16H2,1-2H3,(H,17,18)
InChIKeyNGADHSPJBUUCPZ-UHFFFAOYSA-N
MW289.21 g/mol
LogP3.76
Rot. Bonds5

About 3-amino-N-(2,5-dichloro-4-methylphenyl)hexanamide

3-amino-N-(2,5-dichloro-4-methylphenyl)hexanamide (PubChem CID 104727161) has the molecular formula C13H18Cl2N2O and a molecular weight of 289.21 g/mol. Its IUPAC name is 3-amino-N-(2,5-dichloro-4-methylphenyl)hexanamide.

Molecular Properties

Compound Name3-amino-N-(2,5-dichloro-4-methylphenyl)hexanamide
PubChem CID104727161
Molecular FormulaC13H18Cl2N2O
Molecular Weight289.21 g/mol
Exact Mass288.08
IUPAC Name3-amino-N-(2,5-dichloro-4-methylphenyl)hexanamide
SMILESCCCC(N)CC(=O)Nc1cc(Cl)c(C)cc1Cl
InChIInChI=1S/C13H18Cl2N2O/c1-3-4-9(16)6-13(18)17-12-7-10(14)8(2)5-11(12)15/h5,7,9H,3-4,6,16H2,1-2H3,(H,17,18)
InChIKeyNGADHSPJBUUCPZ-UHFFFAOYSA-N
XLogP3.76
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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

3-amino-N-(5-chloro-2-methyl-4-nitrophenyl)hexanamide
CID 104668230
N-(2,5-dichloro-4-methylphenyl)-2-(ethylamino)acetamide
CID 104727030
N-(2,5-dichloro-4-methylphenyl)-2-propoxyacetamide
CID 103841314
3-amino-N-(2-bromo-5-chloro-3-pyridinyl)hexanamide
CID 112749983
4-(2-aminoethyl)-N-(2,5-dichloro-4-methylphenyl)-5-methylhexanamide
CID 104727149
(3Z)-3-amino-N-(2,5-dichloro-4-methylphenyl)-3-hydroxyiminopropanamide
CID 104727903
N-(2,5-dichloro-4-methylphenyl)acetamide
CID 112703957
(2S)-2-amino-N-(2,5-dichloro-4-methylphenyl)-3-methylbutanamide
CID 104727039
4-amino-N-(2,5-dichloro-4-methylphenyl)-4-methylpentanamide
CID 104727177
4-amino-N-(2,5-dichloro-4-methylphenyl)-2-methylbutanamide
CID 104727116
3-amino-N-(2-bromo-5-chloro-4-methylphenyl)-4-methylpentanamide
CID 104723649
(2S)-2-[(2,5-dichloro-4-methylphenyl)carbamoylamino]hexanoic acid
CID 107146519

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,5-dichloro-4-methylphenyl)hexanamide?
The IUPAC name of 3-amino-N-(2,5-dichloro-4-methylphenyl)hexanamide (CID 104727161) is 3-amino-N-(2,5-dichloro-4-methylphenyl)hexanamide.
What is the SMILES notation for 3-amino-N-(2,5-dichloro-4-methylphenyl)hexanamide?
The canonical SMILES for 3-amino-N-(2,5-dichloro-4-methylphenyl)hexanamide is CCCC(N)CC(=O)Nc1cc(Cl)c(C)cc1Cl.
What is the InChIKey of 3-amino-N-(2,5-dichloro-4-methylphenyl)hexanamide?
The InChIKey is NGADHSPJBUUCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O/c1-3-4-9(16)6-13(18)17-12-7-10(14)8(2)5-11(12)15/h5,7,9H,3-4,6,16H2,1-2H3,(H,17,18).
What are the key properties of 3-amino-N-(2,5-dichloro-4-methylphenyl)hexanamide?
3-amino-N-(2,5-dichloro-4-methylphenyl)hexanamide has a molecular weight of 289.21 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,5-dichloro-4-methylphenyl)hexanamide is sourced from PubChem (CID 104727161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).