2-(3-aminopropoxy)-N-(2-chlorophenyl)acetamide

C11H15ClN2O2 — CID 62344023

IUPAC2-(3-aminopropoxy)-N-(2-chlorophenyl)acetamide
SMILESNCCCOCC(=O)Nc1ccccc1Cl
InChIInChI=1S/C11H15ClN2O2/c12-9-4-1-2-5-10(9)14-11(15)8-16-7-3-6-13/h1-2,4-5H,3,6-8,13H2,(H,14,15)
InChIKeySPORTUWDMFYSCQ-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.64
Rot. Bonds6

About 2-(3-aminopropoxy)-N-(2-chlorophenyl)acetamide

2-(3-aminopropoxy)-N-(2-chlorophenyl)acetamide (PubChem CID 62344023) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 2-(3-aminopropoxy)-N-(2-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-(3-aminopropoxy)-N-(2-chlorophenyl)acetamide
PubChem CID62344023
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name2-(3-aminopropoxy)-N-(2-chlorophenyl)acetamide
SMILESNCCCOCC(=O)Nc1ccccc1Cl
InChIInChI=1S/C11H15ClN2O2/c12-9-4-1-2-5-10(9)14-11(15)8-16-7-3-6-13/h1-2,4-5H,3,6-8,13H2,(H,14,15)
InChIKeySPORTUWDMFYSCQ-UHFFFAOYSA-N
XLogP1.64
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.64
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-(3-aminopropoxy)-N-(2-methoxyphenyl)acetamide
CID 62343841
2-[2-(2-aminophenyl)ethoxy]-N-(2-chlorophenyl)acetamide
CID 102902564
3-amino-N-(2-chlorophenyl)propanamide
CID 22692042
2-(3-aminopropoxy)-N-(3-chlorophenyl)acetamide
CID 62343844
2-amino-N-(2-chlorophenyl)acetamide;hydrochloride
CID 51051964
N-(2-chlorophenyl)-2-(2-pyrrolidin-3-ylethoxy)acetamide
CID 114796128
N-[2-(aminomethyl)phenyl]-2-(3-hydroxypropoxy)acetamide
CID 43531428
[2-(2-chloroanilino)-2-oxoethyl] cyclohexanecarboxylate
CID 2495206
[2-(2-chloroanilino)-2-oxoethyl] 2,6-difluorobenzoate
CID 3638109
N-(2-chlorophenyl)-2-cyclohexyloxyacetamide
CID 87000449
N-(2-chlorophenyl)-2-(2,4-dichlorophenoxy)acetamide
CID 744320
2-(2-amino-6-chlorophenoxy)-N-(2-chlorophenyl)acetamide
CID 107715816

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropoxy)-N-(2-chlorophenyl)acetamide?
The IUPAC name of 2-(3-aminopropoxy)-N-(2-chlorophenyl)acetamide (CID 62344023) is 2-(3-aminopropoxy)-N-(2-chlorophenyl)acetamide.
What is the SMILES notation for 2-(3-aminopropoxy)-N-(2-chlorophenyl)acetamide?
The canonical SMILES for 2-(3-aminopropoxy)-N-(2-chlorophenyl)acetamide is NCCCOCC(=O)Nc1ccccc1Cl.
What is the InChIKey of 2-(3-aminopropoxy)-N-(2-chlorophenyl)acetamide?
The InChIKey is SPORTUWDMFYSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c12-9-4-1-2-5-10(9)14-11(15)8-16-7-3-6-13/h1-2,4-5H,3,6-8,13H2,(H,14,15).
What are the key properties of 2-(3-aminopropoxy)-N-(2-chlorophenyl)acetamide?
2-(3-aminopropoxy)-N-(2-chlorophenyl)acetamide has a molecular weight of 242.71 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropoxy)-N-(2-chlorophenyl)acetamide is sourced from PubChem (CID 62344023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).