3-[4-[1-(4-chlorophenyl)ethoxy]phenyl]-N-hydroxybutanamide

C18H20ClNO3 — CID 19868738

IUPAC3-[4-[1-(4-chlorophenyl)ethoxy]phenyl]-N-hydroxybutanamide
SMILESCC(CC(=O)NO)c1ccc(OC(C)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H20ClNO3/c1-12(11-18(21)20-22)14-5-9-17(10-6-14)23-13(2)15-3-7-16(19)8-4-15/h3-10,12-13,22H,11H2,1-2H3,(H,20,21)
InChIKeyBOHCBICXXCLJHH-UHFFFAOYSA-N
MW333.82 g/mol
LogP4.48
Rot. Bonds6

About 3-[4-[1-(4-chlorophenyl)ethoxy]phenyl]-N-hydroxybutanamide

3-[4-[1-(4-chlorophenyl)ethoxy]phenyl]-N-hydroxybutanamide (PubChem CID 19868738) has the molecular formula C18H20ClNO3 and a molecular weight of 333.82 g/mol. Its IUPAC name is 3-[4-[1-(4-chlorophenyl)ethoxy]phenyl]-N-hydroxybutanamide.

Molecular Properties

Compound Name3-[4-[1-(4-chlorophenyl)ethoxy]phenyl]-N-hydroxybutanamide
PubChem CID19868738
Molecular FormulaC18H20ClNO3
Molecular Weight333.82 g/mol
Exact Mass333.11
IUPAC Name3-[4-[1-(4-chlorophenyl)ethoxy]phenyl]-N-hydroxybutanamide
SMILESCC(CC(=O)NO)c1ccc(OC(C)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H20ClNO3/c1-12(11-18(21)20-22)14-5-9-17(10-6-14)23-13(2)15-3-7-16(19)8-4-15/h3-10,12-13,22H,11H2,1-2H3,(H,20,21)
InChIKeyBOHCBICXXCLJHH-UHFFFAOYSA-N
XLogP4.48
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 54.48
H-Bond Donors ≤ 52
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-[4-[1-(4-chlorophenyl)ethoxy]phenyl]-N-hydroxybutanamide?
The IUPAC name of 3-[4-[1-(4-chlorophenyl)ethoxy]phenyl]-N-hydroxybutanamide (CID 19868738) is 3-[4-[1-(4-chlorophenyl)ethoxy]phenyl]-N-hydroxybutanamide.
What is the SMILES notation for 3-[4-[1-(4-chlorophenyl)ethoxy]phenyl]-N-hydroxybutanamide?
The canonical SMILES for 3-[4-[1-(4-chlorophenyl)ethoxy]phenyl]-N-hydroxybutanamide is CC(CC(=O)NO)c1ccc(OC(C)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 3-[4-[1-(4-chlorophenyl)ethoxy]phenyl]-N-hydroxybutanamide?
The InChIKey is BOHCBICXXCLJHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO3/c1-12(11-18(21)20-22)14-5-9-17(10-6-14)23-13(2)15-3-7-16(19)8-4-15/h3-10,12-13,22H,11H2,1-2H3,(H,20,21).
What are the key properties of 3-[4-[1-(4-chlorophenyl)ethoxy]phenyl]-N-hydroxybutanamide?
3-[4-[1-(4-chlorophenyl)ethoxy]phenyl]-N-hydroxybutanamide has a molecular weight of 333.82 g/mol, XLogP of 4.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[1-(4-chlorophenyl)ethoxy]phenyl]-N-hydroxybutanamide is sourced from PubChem (CID 19868738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).