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

C11H15ClN2O2 — CID 62343844

IUPAC2-(3-aminopropoxy)-N-(3-chlorophenyl)acetamide
SMILESNCCCOCC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C11H15ClN2O2/c12-9-3-1-4-10(7-9)14-11(15)8-16-6-2-5-13/h1,3-4,7H,2,5-6,8,13H2,(H,14,15)
InChIKeyKSSGGNPIITYPGU-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.64
Rot. Bonds6

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

2-(3-aminopropoxy)-N-(3-chlorophenyl)acetamide (PubChem CID 62343844) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 2-(3-aminopropoxy)-N-(3-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-(3-aminopropoxy)-N-(3-chlorophenyl)acetamide
PubChem CID62343844
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name2-(3-aminopropoxy)-N-(3-chlorophenyl)acetamide
SMILESNCCCOCC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C11H15ClN2O2/c12-9-3-1-4-10(7-9)14-11(15)8-16-6-2-5-13/h1,3-4,7H,2,5-6,8,13H2,(H,14,15)
InChIKeyKSSGGNPIITYPGU-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-(2-aminoethoxy)-N-(3,5-dichlorophenyl)acetamide
CID 79464434
2-[2-(2-aminoethoxy)ethylsulfanyl]-N-(3-chlorophenyl)acetamide
CID 82181058
2-(3-aminopropoxy)-N-(2-chlorophenyl)acetamide
CID 62344023
N-[3-[[2-(2-aminoethoxy)acetyl]amino]phenyl]propanamide
CID 79473101
3-[[2-(2-aminoethoxy)acetyl]amino]benzamide
CID 79479318
[2-(3-chloroanilino)-2-oxoethyl] 2,6-difluorobenzoate
CID 2515596
N,N'-bis(3-chlorophenyl)pentanediamide
CID 1011389
2-(2-aminoethoxy)-N-[3-(sulfamoylamino)phenyl]acetamide
CID 79473135
[2-(3-chloroanilino)-2-oxoethyl] 2,5-difluorobenzoate
CID 46925028
N-(3-chlorophenyl)-2-(pyrrolidin-3-ylmethoxy)acetamide
CID 62372283
2-(2-chlorophenoxy)-N-(3-chlorophenyl)acetamide
CID 707250
(2S)-2-(3-aminopropylamino)-4-(3-chloroanilino)-4-oxobutanoic acid
CID 7591007

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropoxy)-N-(3-chlorophenyl)acetamide?
The IUPAC name of 2-(3-aminopropoxy)-N-(3-chlorophenyl)acetamide (CID 62343844) is 2-(3-aminopropoxy)-N-(3-chlorophenyl)acetamide.
What is the SMILES notation for 2-(3-aminopropoxy)-N-(3-chlorophenyl)acetamide?
The canonical SMILES for 2-(3-aminopropoxy)-N-(3-chlorophenyl)acetamide is NCCCOCC(=O)Nc1cccc(Cl)c1.
What is the InChIKey of 2-(3-aminopropoxy)-N-(3-chlorophenyl)acetamide?
The InChIKey is KSSGGNPIITYPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c12-9-3-1-4-10(7-9)14-11(15)8-16-6-2-5-13/h1,3-4,7H,2,5-6,8,13H2,(H,14,15).
What are the key properties of 2-(3-aminopropoxy)-N-(3-chlorophenyl)acetamide?
2-(3-aminopropoxy)-N-(3-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-(3-chlorophenyl)acetamide is sourced from PubChem (CID 62343844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).