2-(2-amino-4-chlorophenoxy)-N-(3-methylbutyl)acetamide

C13H19ClN2O2 — CID 54957202

IUPAC2-(2-amino-4-chlorophenoxy)-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)COc1ccc(Cl)cc1N
InChIInChI=1S/C13H19ClN2O2/c1-9(2)5-6-16-13(17)8-18-12-4-3-10(14)7-11(12)15/h3-4,7,9H,5-6,8,15H2,1-2H3,(H,16,17)
InChIKeyGOBQOXYFSUENIN-UHFFFAOYSA-N
MW270.76 g/mol
LogP2.46
Rot. Bonds6

About 2-(2-amino-4-chlorophenoxy)-N-(3-methylbutyl)acetamide

2-(2-amino-4-chlorophenoxy)-N-(3-methylbutyl)acetamide (PubChem CID 54957202) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 2-(2-amino-4-chlorophenoxy)-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-(2-amino-4-chlorophenoxy)-N-(3-methylbutyl)acetamide
PubChem CID54957202
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name2-(2-amino-4-chlorophenoxy)-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)COc1ccc(Cl)cc1N
InChIInChI=1S/C13H19ClN2O2/c1-9(2)5-6-16-13(17)8-18-12-4-3-10(14)7-11(12)15/h3-4,7,9H,5-6,8,15H2,1-2H3,(H,16,17)
InChIKeyGOBQOXYFSUENIN-UHFFFAOYSA-N
XLogP2.46
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-4-chlorophenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 54962260
2-(4-amino-5-methyl-2-propan-2-ylphenoxy)-N-(3-methylbutyl)acetamide
CID 65216681
2-(4-bromo-2-propan-2-ylphenoxy)-N-(3-methylbutyl)acetamide
CID 115401978
2-(4-bromo-2-fluorophenoxy)-N-(3-methylbutyl)acetamide
CID 78766268
N-(3-methylbutyl)-2-(2-methyl-4-sulfamoylphenoxy)acetamide
CID 82910962
2-[2-(2-aminoethyl)-4-bromophenoxy]-N-(3-methylbutyl)acetamide
CID 61487161
3-[3-amino-4-(3-methylbutoxy)phenyl]-N-(3-methylbutyl)propanamide
CID 94759187
3-methyl-4-[2-(3-methylbutylamino)-2-oxoethoxy]benzenesulfonyl chloride
CID 82911319
2-(5-chloro-2-methoxyphenyl)-N-(3-methylbutyl)acetamide
CID 110767257
2-(2,4-dichlorophenoxy)-N-[(3S)-3-hydroxypentyl]acetamide
CID 97096056
2-[2-(1-aminoethyl)-4-methylphenoxy]-N-(3-methylbutyl)acetamide
CID 61486605
2-(2-amino-5-chlorophenoxy)-N-butylacetamide
CID 62305003

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-chlorophenoxy)-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-(2-amino-4-chlorophenoxy)-N-(3-methylbutyl)acetamide (CID 54957202) is 2-(2-amino-4-chlorophenoxy)-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-(2-amino-4-chlorophenoxy)-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-(2-amino-4-chlorophenoxy)-N-(3-methylbutyl)acetamide is CC(C)CCNC(=O)COc1ccc(Cl)cc1N.
What is the InChIKey of 2-(2-amino-4-chlorophenoxy)-N-(3-methylbutyl)acetamide?
The InChIKey is GOBQOXYFSUENIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-9(2)5-6-16-13(17)8-18-12-4-3-10(14)7-11(12)15/h3-4,7,9H,5-6,8,15H2,1-2H3,(H,16,17).
What are the key properties of 2-(2-amino-4-chlorophenoxy)-N-(3-methylbutyl)acetamide?
2-(2-amino-4-chlorophenoxy)-N-(3-methylbutyl)acetamide has a molecular weight of 270.76 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-chlorophenoxy)-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 54957202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).