2-(2-amino-5-chlorophenoxy)-N-butylacetamide

C12H17ClN2O2 — CID 62305003

IUPAC2-(2-amino-5-chlorophenoxy)-N-butylacetamide
SMILESCCCCNC(=O)COc1cc(Cl)ccc1N
InChIInChI=1S/C12H17ClN2O2/c1-2-3-6-15-12(16)8-17-11-7-9(13)4-5-10(11)14/h4-5,7H,2-3,6,8,14H2,1H3,(H,15,16)
InChIKeySSBJQOMAGPZWMI-UHFFFAOYSA-N
MW256.73 g/mol
LogP2.22
Rot. Bonds6

About 2-(2-amino-5-chlorophenoxy)-N-butylacetamide

2-(2-amino-5-chlorophenoxy)-N-butylacetamide (PubChem CID 62305003) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is 2-(2-amino-5-chlorophenoxy)-N-butylacetamide.

Molecular Properties

Compound Name2-(2-amino-5-chlorophenoxy)-N-butylacetamide
PubChem CID62305003
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name2-(2-amino-5-chlorophenoxy)-N-butylacetamide
SMILESCCCCNC(=O)COc1cc(Cl)ccc1N
InChIInChI=1S/C12H17ClN2O2/c1-2-3-6-15-12(16)8-17-11-7-9(13)4-5-10(11)14/h4-5,7H,2-3,6,8,14H2,1H3,(H,15,16)
InChIKeySSBJQOMAGPZWMI-UHFFFAOYSA-N
XLogP2.22
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 52.22
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

2-[2-(aminomethyl)-4-chlorophenoxy]-N-butylacetamide
CID 54956381
2-[2-(butylamino)-2-oxoethoxy]-5-chlorobenzamide
CID 26217578
4-amino-3-[2-(butylamino)-2-oxoethoxy]-N-propan-2-ylbenzamide
CID 93216573
2-(2,4-dichlorophenoxy)-N-octylacetamide
CID 4555196
[2-(butylamino)-2-oxoethyl] 2-amino-4-chlorobenzoate
CID 7864446
2-(2-bromo-4-chlorophenoxy)-N-pentylacetamide
CID 19201316
N-butyl-2-(4-chloro-2-nitrophenoxy)acetamide
CID 7979841
4-amino-N-butyl-3-[2-(methylamino)-2-oxoethoxy]benzamide
CID 82070083
2-(2-amino-5-chlorophenoxy)-N-butan-2-ylacetamide
CID 62305337
2-(5-amino-2-methylphenoxy)-N-butylacetamide
CID 54956173
N-butyl-2-(3-chlorophenoxy)acetamide
CID 19168596
2-(2,5-dichlorophenoxy)-N-(3-ethoxypropyl)acetamide
CID 84601595

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-chlorophenoxy)-N-butylacetamide?
The IUPAC name of 2-(2-amino-5-chlorophenoxy)-N-butylacetamide (CID 62305003) is 2-(2-amino-5-chlorophenoxy)-N-butylacetamide.
What is the SMILES notation for 2-(2-amino-5-chlorophenoxy)-N-butylacetamide?
The canonical SMILES for 2-(2-amino-5-chlorophenoxy)-N-butylacetamide is CCCCNC(=O)COc1cc(Cl)ccc1N.
What is the InChIKey of 2-(2-amino-5-chlorophenoxy)-N-butylacetamide?
The InChIKey is SSBJQOMAGPZWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-2-3-6-15-12(16)8-17-11-7-9(13)4-5-10(11)14/h4-5,7H,2-3,6,8,14H2,1H3,(H,15,16).
What are the key properties of 2-(2-amino-5-chlorophenoxy)-N-butylacetamide?
2-(2-amino-5-chlorophenoxy)-N-butylacetamide has a molecular weight of 256.73 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-chlorophenoxy)-N-butylacetamide is sourced from PubChem (CID 62305003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).