3-(3,5-dichlorophenyl)-3-hydroxy-N-(3-methoxypropyl)propanamide

C13H17Cl2NO3 — CID 111664681

IUPAC3-(3,5-dichlorophenyl)-3-hydroxy-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)CC(O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H17Cl2NO3/c1-19-4-2-3-16-13(18)8-12(17)9-5-10(14)7-11(15)6-9/h5-7,12,17H,2-4,8H2,1H3,(H,16,18)
InChIKeyGCCPJHKAEWUXTB-UHFFFAOYSA-N
MW306.19 g/mol
LogP2.57
Rot. Bonds7

About 3-(3,5-dichlorophenyl)-3-hydroxy-N-(3-methoxypropyl)propanamide

3-(3,5-dichlorophenyl)-3-hydroxy-N-(3-methoxypropyl)propanamide (PubChem CID 111664681) has the molecular formula C13H17Cl2NO3 and a molecular weight of 306.19 g/mol. Its IUPAC name is 3-(3,5-dichlorophenyl)-3-hydroxy-N-(3-methoxypropyl)propanamide.

Molecular Properties

Compound Name3-(3,5-dichlorophenyl)-3-hydroxy-N-(3-methoxypropyl)propanamide
PubChem CID111664681
Molecular FormulaC13H17Cl2NO3
Molecular Weight306.19 g/mol
Exact Mass305.06
IUPAC Name3-(3,5-dichlorophenyl)-3-hydroxy-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)CC(O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H17Cl2NO3/c1-19-4-2-3-16-13(18)8-12(17)9-5-10(14)7-11(15)6-9/h5-7,12,17H,2-4,8H2,1H3,(H,16,18)
InChIKeyGCCPJHKAEWUXTB-UHFFFAOYSA-N
XLogP2.57
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.19
LogP ≤ 52.57
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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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichlorophenyl)-3-hydroxy-N-(3-methoxypropyl)propanamide?
The IUPAC name of 3-(3,5-dichlorophenyl)-3-hydroxy-N-(3-methoxypropyl)propanamide (CID 111664681) is 3-(3,5-dichlorophenyl)-3-hydroxy-N-(3-methoxypropyl)propanamide.
What is the SMILES notation for 3-(3,5-dichlorophenyl)-3-hydroxy-N-(3-methoxypropyl)propanamide?
The canonical SMILES for 3-(3,5-dichlorophenyl)-3-hydroxy-N-(3-methoxypropyl)propanamide is COCCCNC(=O)CC(O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3-(3,5-dichlorophenyl)-3-hydroxy-N-(3-methoxypropyl)propanamide?
The InChIKey is GCCPJHKAEWUXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO3/c1-19-4-2-3-16-13(18)8-12(17)9-5-10(14)7-11(15)6-9/h5-7,12,17H,2-4,8H2,1H3,(H,16,18).
What are the key properties of 3-(3,5-dichlorophenyl)-3-hydroxy-N-(3-methoxypropyl)propanamide?
3-(3,5-dichlorophenyl)-3-hydroxy-N-(3-methoxypropyl)propanamide has a molecular weight of 306.19 g/mol, XLogP of 2.57, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichlorophenyl)-3-hydroxy-N-(3-methoxypropyl)propanamide is sourced from PubChem (CID 111664681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).