N-(2-amino-5-chlorophenyl)-2-pentoxyacetamide

C13H19ClN2O2 — CID 43274990

IUPACN-(2-amino-5-chlorophenyl)-2-pentoxyacetamide
SMILESCCCCCOCC(=O)Nc1cc(Cl)ccc1N
InChIInChI=1S/C13H19ClN2O2/c1-2-3-4-7-18-9-13(17)16-12-8-10(14)5-6-11(12)15/h5-6,8H,2-4,7,9,15H2,1H3,(H,16,17)
InChIKeyIJRHKZCWEIYUDH-UHFFFAOYSA-N
MW270.76 g/mol
LogP3.07
Rot. Bonds7

About N-(2-amino-5-chlorophenyl)-2-pentoxyacetamide

N-(2-amino-5-chlorophenyl)-2-pentoxyacetamide (PubChem CID 43274990) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is N-(2-amino-5-chlorophenyl)-2-pentoxyacetamide.

Molecular Properties

Compound NameN-(2-amino-5-chlorophenyl)-2-pentoxyacetamide
PubChem CID43274990
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC NameN-(2-amino-5-chlorophenyl)-2-pentoxyacetamide
SMILESCCCCCOCC(=O)Nc1cc(Cl)ccc1N
InChIInChI=1S/C13H19ClN2O2/c1-2-3-4-7-18-9-13(17)16-12-8-10(14)5-6-11(12)15/h5-6,8H,2-4,7,9,15H2,1H3,(H,16,17)
InChIKeyIJRHKZCWEIYUDH-UHFFFAOYSA-N
XLogP3.07
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-5-chlorophenyl)-2-heptoxyacetamide
CID 43127087
N-(2-amino-5-chlorophenyl)-2-[3-(2-methoxyethoxy)propoxy]acetamide
CID 103401181
N-(2-amino-5-chlorophenyl)-3-propoxypropanamide
CID 43247865
N-(2-amino-5-chlorophenyl)-2-pentoxypropanamide
CID 43274945
N-(2-amino-4-chlorophenyl)-2-[2-(3-methoxypropoxy)ethoxy]acetamide
CID 103176913
N-(2-amino-4,6-dichlorophenyl)-2-heptoxyacetamide
CID 43127069
N-(2-amino-4-chlorophenyl)-2-ethoxyacetamide
CID 16791800
N-(2-amino-5-chlorophenyl)-3-pentylsulfinylpropanamide
CID 107753533
N-(5-amino-2-methylphenyl)-2-pentoxyacetamide;hydrochloride
CID 120568568
N-(2-amino-5-chlorophenyl)-4-(4-methylpentoxy)butanamide
CID 28995438
N-(2-amino-5-chlorophenyl)-3-butylsulfonylpropanamide
CID 43615882
N-(5-amino-2-methoxyphenyl)-2-pentoxyacetamide
CID 43275007

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-chlorophenyl)-2-pentoxyacetamide?
The IUPAC name of N-(2-amino-5-chlorophenyl)-2-pentoxyacetamide (CID 43274990) is N-(2-amino-5-chlorophenyl)-2-pentoxyacetamide.
What is the SMILES notation for N-(2-amino-5-chlorophenyl)-2-pentoxyacetamide?
The canonical SMILES for N-(2-amino-5-chlorophenyl)-2-pentoxyacetamide is CCCCCOCC(=O)Nc1cc(Cl)ccc1N.
What is the InChIKey of N-(2-amino-5-chlorophenyl)-2-pentoxyacetamide?
The InChIKey is IJRHKZCWEIYUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-2-3-4-7-18-9-13(17)16-12-8-10(14)5-6-11(12)15/h5-6,8H,2-4,7,9,15H2,1H3,(H,16,17).
What are the key properties of N-(2-amino-5-chlorophenyl)-2-pentoxyacetamide?
N-(2-amino-5-chlorophenyl)-2-pentoxyacetamide has a molecular weight of 270.76 g/mol, XLogP of 3.07, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-chlorophenyl)-2-pentoxyacetamide is sourced from PubChem (CID 43274990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).