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

C13H18Cl2N2O2 — CID 104727023

IUPAC2-amino-N-(2,5-dichloro-4-methylphenyl)-5-methoxypentanamide
SMILESCOCCCC(N)C(=O)Nc1cc(Cl)c(C)cc1Cl
InChIInChI=1S/C13H18Cl2N2O2/c1-8-6-10(15)12(7-9(8)14)17-13(18)11(16)4-3-5-19-2/h6-7,11H,3-5,16H2,1-2H3,(H,17,18)
InChIKeyXBQBUXAEKVIUIS-UHFFFAOYSA-N
MW305.21 g/mol
LogP2.99
Rot. Bonds6

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

2-amino-N-(2,5-dichloro-4-methylphenyl)-5-methoxypentanamide (PubChem CID 104727023) has the molecular formula C13H18Cl2N2O2 and a molecular weight of 305.21 g/mol. Its IUPAC name is 2-amino-N-(2,5-dichloro-4-methylphenyl)-5-methoxypentanamide.

Molecular Properties

Compound Name2-amino-N-(2,5-dichloro-4-methylphenyl)-5-methoxypentanamide
PubChem CID104727023
Molecular FormulaC13H18Cl2N2O2
Molecular Weight305.21 g/mol
Exact Mass304.07
IUPAC Name2-amino-N-(2,5-dichloro-4-methylphenyl)-5-methoxypentanamide
SMILESCOCCCC(N)C(=O)Nc1cc(Cl)c(C)cc1Cl
InChIInChI=1S/C13H18Cl2N2O2/c1-8-6-10(15)12(7-9(8)14)17-13(18)11(16)4-3-5-19-2/h6-7,11H,3-5,16H2,1-2H3,(H,17,18)
InChIKeyXBQBUXAEKVIUIS-UHFFFAOYSA-N
XLogP2.99
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.21
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(2-chloro-5-methoxyphenyl)-5-methoxypentanamide
CID 81089395
2-amino-N-(2-chloro-4-nitrophenyl)-5-methoxypentanamide
CID 81083150
methyl 2-[(2-amino-5-methoxypentanoyl)amino]-4-chlorobenzoate
CID 81084917
2-amino-5-methoxy-N-(2-methyl-4-propan-2-yloxyphenyl)pentanamide
CID 81071157
2-amino-N-(2-fluoro-5-methylphenyl)-5-methoxypentanamide
CID 81081841
2-amino-N-(4-ethoxy-2-methylphenyl)-5-methoxypentanamide
CID 81082492
2-amino-N-(2-hydroxyphenyl)-5-methoxypentanamide
CID 81089431
2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]-5-methoxypentanamide
CID 81084287
2-amino-N-(5-chloro-2-ethoxyphenyl)-5-methoxypentanamide
CID 81083183
(2S)-2-amino-N-(2,5-dichloro-4-methylphenyl)-3-methylbutanamide
CID 104727039
2-amino-N-(2,5-difluorophenyl)-5-methoxypentanamide
CID 81081032
2-amino-N-(2-chloro-4-fluorophenyl)-4-methoxybutanamide
CID 55081012

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,5-dichloro-4-methylphenyl)-5-methoxypentanamide?
The IUPAC name of 2-amino-N-(2,5-dichloro-4-methylphenyl)-5-methoxypentanamide (CID 104727023) is 2-amino-N-(2,5-dichloro-4-methylphenyl)-5-methoxypentanamide.
What is the SMILES notation for 2-amino-N-(2,5-dichloro-4-methylphenyl)-5-methoxypentanamide?
The canonical SMILES for 2-amino-N-(2,5-dichloro-4-methylphenyl)-5-methoxypentanamide is COCCCC(N)C(=O)Nc1cc(Cl)c(C)cc1Cl.
What is the InChIKey of 2-amino-N-(2,5-dichloro-4-methylphenyl)-5-methoxypentanamide?
The InChIKey is XBQBUXAEKVIUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O2/c1-8-6-10(15)12(7-9(8)14)17-13(18)11(16)4-3-5-19-2/h6-7,11H,3-5,16H2,1-2H3,(H,17,18).
What are the key properties of 2-amino-N-(2,5-dichloro-4-methylphenyl)-5-methoxypentanamide?
2-amino-N-(2,5-dichloro-4-methylphenyl)-5-methoxypentanamide has a molecular weight of 305.21 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,5-dichloro-4-methylphenyl)-5-methoxypentanamide is sourced from PubChem (CID 104727023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).