3-(3-chlorophenoxy)-N-(3-hydroxypropyl)propanamide

C12H16ClNO3 — CID 43428089

IUPAC3-(3-chlorophenoxy)-N-(3-hydroxypropyl)propanamide
SMILESO=C(CCOc1cccc(Cl)c1)NCCCO
InChIInChI=1S/C12H16ClNO3/c13-10-3-1-4-11(9-10)17-8-5-12(16)14-6-2-7-15/h1,3-4,9,15H,2,5-8H2,(H,14,16)
InChIKeyYSLPATSEEBJCRG-UHFFFAOYSA-N
MW257.72 g/mol
LogP1.61
Rot. Bonds7

About 3-(3-chlorophenoxy)-N-(3-hydroxypropyl)propanamide

3-(3-chlorophenoxy)-N-(3-hydroxypropyl)propanamide (PubChem CID 43428089) has the molecular formula C12H16ClNO3 and a molecular weight of 257.72 g/mol. Its IUPAC name is 3-(3-chlorophenoxy)-N-(3-hydroxypropyl)propanamide.

Molecular Properties

Compound Name3-(3-chlorophenoxy)-N-(3-hydroxypropyl)propanamide
PubChem CID43428089
Molecular FormulaC12H16ClNO3
Molecular Weight257.72 g/mol
Exact Mass257.08
IUPAC Name3-(3-chlorophenoxy)-N-(3-hydroxypropyl)propanamide
SMILESO=C(CCOc1cccc(Cl)c1)NCCCO
InChIInChI=1S/C12H16ClNO3/c13-10-3-1-4-11(9-10)17-8-5-12(16)14-6-2-7-15/h1,3-4,9,15H,2,5-8H2,(H,14,16)
InChIKeyYSLPATSEEBJCRG-UHFFFAOYSA-N
XLogP1.61
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 51.61
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

3-(3-chlorophenoxy)-N-(2-methylsulfonylethyl)propanamide
CID 51091552
3-(3-chlorophenoxy)-N-(2,3-dihydroxypropyl)propanamide
CID 66177946
4-amino-N-[2-(3-chlorophenoxy)ethyl]butanamide;hydrochloride
CID 119295708
N-[2-(3-chlorophenyl)ethyl]-3-phenoxypropanamide
CID 113098409
N-(6-hydroxyhexyl)-4-(3-methylphenoxy)butanamide
CID 103919173
N-[2-(3-chlorophenoxy)ethyl]-2-[2-hydroxyethyl(methyl)amino]acetamide
CID 110899228
2-amino-N-[2-(3-chlorophenoxy)ethyl]acetamide;hydrochloride
CID 119295694
N-butyl-2-(3-chlorophenoxy)acetamide
CID 19168596
methyl 3-(3-chlorophenoxy)propanoate
CID 28940074
3-(3-chlorophenoxy)-N-(1H-pyrrol-3-ylmethyl)propanamide
CID 106385880
3-(3-chlorophenoxy)propanamide
CID 23512799
CID 131885829
CID 131885829

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenoxy)-N-(3-hydroxypropyl)propanamide?
The IUPAC name of 3-(3-chlorophenoxy)-N-(3-hydroxypropyl)propanamide (CID 43428089) is 3-(3-chlorophenoxy)-N-(3-hydroxypropyl)propanamide.
What is the SMILES notation for 3-(3-chlorophenoxy)-N-(3-hydroxypropyl)propanamide?
The canonical SMILES for 3-(3-chlorophenoxy)-N-(3-hydroxypropyl)propanamide is O=C(CCOc1cccc(Cl)c1)NCCCO.
What is the InChIKey of 3-(3-chlorophenoxy)-N-(3-hydroxypropyl)propanamide?
The InChIKey is YSLPATSEEBJCRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO3/c13-10-3-1-4-11(9-10)17-8-5-12(16)14-6-2-7-15/h1,3-4,9,15H,2,5-8H2,(H,14,16).
What are the key properties of 3-(3-chlorophenoxy)-N-(3-hydroxypropyl)propanamide?
3-(3-chlorophenoxy)-N-(3-hydroxypropyl)propanamide has a molecular weight of 257.72 g/mol, XLogP of 1.61, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenoxy)-N-(3-hydroxypropyl)propanamide is sourced from PubChem (CID 43428089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).