4-cyclopentyl-N-(3,4-difluorophenyl)-2-hydroxybutanamide;N-hydroxyheptanamide

C22H34F2N2O4 — CID 142015655

IUPAC4-cyclopentyl-N-(3,4-difluorophenyl)-2-hydroxybutanamide;N-hydroxyheptanamide
SMILESCCCCCCC(=O)NO.O=C(Nc1ccc(F)c(F)c1)C(O)CCC1CCCC1
InChIInChI=1S/C15H19F2NO2.C7H15NO2/c16-12-7-6-11(9-13(12)17)18-15(20)14(19)8-5-10-3-1-2-4-10;1-2-3-4-5-6-7(9)8-10/h6-7,9-10,14,19H,1-5,8H2,(H,18,20);10H,2-6H2,1H3,(H,8,9)
InChIKeyRZUPFTRXFWCBJG-UHFFFAOYSA-N
MW428.52 g/mol
LogP4.70
Rot. Bonds10

About 4-cyclopentyl-N-(3,4-difluorophenyl)-2-hydroxybutanamide;N-hydroxyheptanamide

4-cyclopentyl-N-(3,4-difluorophenyl)-2-hydroxybutanamide;N-hydroxyheptanamide (PubChem CID 142015655) has the molecular formula C22H34F2N2O4 and a molecular weight of 428.52 g/mol. Its IUPAC name is 4-cyclopentyl-N-(3,4-difluorophenyl)-2-hydroxybutanamide;N-hydroxyheptanamide.

Molecular Properties

Compound Name4-cyclopentyl-N-(3,4-difluorophenyl)-2-hydroxybutanamide;N-hydroxyheptanamide
PubChem CID142015655
Molecular FormulaC22H34F2N2O4
Molecular Weight428.52 g/mol
Exact Mass428.25
IUPAC Name4-cyclopentyl-N-(3,4-difluorophenyl)-2-hydroxybutanamide;N-hydroxyheptanamide
SMILESCCCCCCC(=O)NO.O=C(Nc1ccc(F)c(F)c1)C(O)CCC1CCCC1
InChIInChI=1S/C15H19F2NO2.C7H15NO2/c16-12-7-6-11(9-13(12)17)18-15(20)14(19)8-5-10-3-1-2-4-10;1-2-3-4-5-6-7(9)8-10/h6-7,9-10,14,19H,1-5,8H2,(H,18,20);10H,2-6H2,1H3,(H,8,9)
InChIKeyRZUPFTRXFWCBJG-UHFFFAOYSA-N
XLogP4.70
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.52
LogP ≤ 54.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 4-cyclopentyl-N-(3,4-difluorophenyl)-2-hydroxybutanamide;N-hydroxyheptanamide?
The IUPAC name of 4-cyclopentyl-N-(3,4-difluorophenyl)-2-hydroxybutanamide;N-hydroxyheptanamide (CID 142015655) is 4-cyclopentyl-N-(3,4-difluorophenyl)-2-hydroxybutanamide;N-hydroxyheptanamide.
What is the SMILES notation for 4-cyclopentyl-N-(3,4-difluorophenyl)-2-hydroxybutanamide;N-hydroxyheptanamide?
The canonical SMILES for 4-cyclopentyl-N-(3,4-difluorophenyl)-2-hydroxybutanamide;N-hydroxyheptanamide is CCCCCCC(=O)NO.O=C(Nc1ccc(F)c(F)c1)C(O)CCC1CCCC1.
What is the InChIKey of 4-cyclopentyl-N-(3,4-difluorophenyl)-2-hydroxybutanamide;N-hydroxyheptanamide?
The InChIKey is RZUPFTRXFWCBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO2.C7H15NO2/c16-12-7-6-11(9-13(12)17)18-15(20)14(19)8-5-10-3-1-2-4-10;1-2-3-4-5-6-7(9)8-10/h6-7,9-10,14,19H,1-5,8H2,(H,18,20);10H,2-6H2,1H3,(H,8,9).
What are the key properties of 4-cyclopentyl-N-(3,4-difluorophenyl)-2-hydroxybutanamide;N-hydroxyheptanamide?
4-cyclopentyl-N-(3,4-difluorophenyl)-2-hydroxybutanamide;N-hydroxyheptanamide has a molecular weight of 428.52 g/mol, XLogP of 4.70, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-N-(3,4-difluorophenyl)-2-hydroxybutanamide;N-hydroxyheptanamide is sourced from PubChem (CID 142015655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).