3-(2,4-dichlorophenyl)-N,5-dihydroxypentanamide

C11H13Cl2NO3 — CID 75091276

IUPAC3-(2,4-dichlorophenyl)-N,5-dihydroxypentanamide
SMILESO=C(CC(CCO)c1ccc(Cl)cc1Cl)NO
InChIInChI=1S/C11H13Cl2NO3/c12-8-1-2-9(10(13)6-8)7(3-4-15)5-11(16)14-17/h1-2,6-7,15,17H,3-5H2,(H,14,16)
InChIKeyWWKGAIHIFOJBCT-UHFFFAOYSA-N
MW278.13 g/mol
LogP2.35
Rot. Bonds5

About 3-(2,4-dichlorophenyl)-N,5-dihydroxypentanamide

3-(2,4-dichlorophenyl)-N,5-dihydroxypentanamide (PubChem CID 75091276) has the molecular formula C11H13Cl2NO3 and a molecular weight of 278.13 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-N,5-dihydroxypentanamide.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-N,5-dihydroxypentanamide
PubChem CID75091276
Molecular FormulaC11H13Cl2NO3
Molecular Weight278.13 g/mol
Exact Mass277.03
IUPAC Name3-(2,4-dichlorophenyl)-N,5-dihydroxypentanamide
SMILESO=C(CC(CCO)c1ccc(Cl)cc1Cl)NO
InChIInChI=1S/C11H13Cl2NO3/c12-8-1-2-9(10(13)6-8)7(3-4-15)5-11(16)14-17/h1-2,6-7,15,17H,3-5H2,(H,14,16)
InChIKeyWWKGAIHIFOJBCT-UHFFFAOYSA-N
XLogP2.35
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.13
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-N,5-dihydroxypentanamide?
The IUPAC name of 3-(2,4-dichlorophenyl)-N,5-dihydroxypentanamide (CID 75091276) is 3-(2,4-dichlorophenyl)-N,5-dihydroxypentanamide.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-N,5-dihydroxypentanamide?
The canonical SMILES for 3-(2,4-dichlorophenyl)-N,5-dihydroxypentanamide is O=C(CC(CCO)c1ccc(Cl)cc1Cl)NO.
What is the InChIKey of 3-(2,4-dichlorophenyl)-N,5-dihydroxypentanamide?
The InChIKey is WWKGAIHIFOJBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO3/c12-8-1-2-9(10(13)6-8)7(3-4-15)5-11(16)14-17/h1-2,6-7,15,17H,3-5H2,(H,14,16).
What are the key properties of 3-(2,4-dichlorophenyl)-N,5-dihydroxypentanamide?
3-(2,4-dichlorophenyl)-N,5-dihydroxypentanamide has a molecular weight of 278.13 g/mol, XLogP of 2.35, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-N,5-dihydroxypentanamide is sourced from PubChem (CID 75091276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).