4-(5-chloro-3-formyl-2-hydroxyphenyl)-3,4-dihydroxybutanamide

C11H12ClNO5 — CID 171899432

IUPAC4-(5-chloro-3-formyl-2-hydroxyphenyl)-3,4-dihydroxybutanamide
SMILESNC(=O)CC(O)C(O)c1cc(Cl)cc(C=O)c1O
InChIInChI=1S/C11H12ClNO5/c12-6-1-5(4-14)10(17)7(2-6)11(18)8(15)3-9(13)16/h1-2,4,8,11,15,17-18H,3H2,(H2,13,16)
InChIKeyHMZPLGDLJSTZFO-UHFFFAOYSA-N
MW273.67 g/mol
LogP0.13
Rot. Bonds5

About 4-(5-chloro-3-formyl-2-hydroxyphenyl)-3,4-dihydroxybutanamide

4-(5-chloro-3-formyl-2-hydroxyphenyl)-3,4-dihydroxybutanamide (PubChem CID 171899432) has the molecular formula C11H12ClNO5 and a molecular weight of 273.67 g/mol. Its IUPAC name is 4-(5-chloro-3-formyl-2-hydroxyphenyl)-3,4-dihydroxybutanamide.

Molecular Properties

Compound Name4-(5-chloro-3-formyl-2-hydroxyphenyl)-3,4-dihydroxybutanamide
PubChem CID171899432
Molecular FormulaC11H12ClNO5
Molecular Weight273.67 g/mol
Exact Mass273.04
IUPAC Name4-(5-chloro-3-formyl-2-hydroxyphenyl)-3,4-dihydroxybutanamide
SMILESNC(=O)CC(O)C(O)c1cc(Cl)cc(C=O)c1O
InChIInChI=1S/C11H12ClNO5/c12-6-1-5(4-14)10(17)7(2-6)11(18)8(15)3-9(13)16/h1-2,4,8,11,15,17-18H,3H2,(H2,13,16)
InChIKeyHMZPLGDLJSTZFO-UHFFFAOYSA-N
XLogP0.13
TPSA120.85 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.67
LogP ≤ 50.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-3-formyl-2-hydroxyphenyl)-3,4-dihydroxybutanamide?
The IUPAC name of 4-(5-chloro-3-formyl-2-hydroxyphenyl)-3,4-dihydroxybutanamide (CID 171899432) is 4-(5-chloro-3-formyl-2-hydroxyphenyl)-3,4-dihydroxybutanamide.
What is the SMILES notation for 4-(5-chloro-3-formyl-2-hydroxyphenyl)-3,4-dihydroxybutanamide?
The canonical SMILES for 4-(5-chloro-3-formyl-2-hydroxyphenyl)-3,4-dihydroxybutanamide is NC(=O)CC(O)C(O)c1cc(Cl)cc(C=O)c1O.
What is the InChIKey of 4-(5-chloro-3-formyl-2-hydroxyphenyl)-3,4-dihydroxybutanamide?
The InChIKey is HMZPLGDLJSTZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO5/c12-6-1-5(4-14)10(17)7(2-6)11(18)8(15)3-9(13)16/h1-2,4,8,11,15,17-18H,3H2,(H2,13,16).
What are the key properties of 4-(5-chloro-3-formyl-2-hydroxyphenyl)-3,4-dihydroxybutanamide?
4-(5-chloro-3-formyl-2-hydroxyphenyl)-3,4-dihydroxybutanamide has a molecular weight of 273.67 g/mol, XLogP of 0.13, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-3-formyl-2-hydroxyphenyl)-3,4-dihydroxybutanamide is sourced from PubChem (CID 171899432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).