N-(2-cyano-4-fluorophenyl)-5-hydroxypentanamide

C12H13FN2O2 — CID 82684893

IUPACN-(2-cyano-4-fluorophenyl)-5-hydroxypentanamide
SMILESN#Cc1cc(F)ccc1NC(=O)CCCCO
InChIInChI=1S/C12H13FN2O2/c13-10-4-5-11(9(7-10)8-14)15-12(17)3-1-2-6-16/h4-5,7,16H,1-3,6H2,(H,15,17)
InChIKeyRBQXTDMHTFPIAL-UHFFFAOYSA-N
MW236.25 g/mol
LogP1.80
Rot. Bonds5

About N-(2-cyano-4-fluorophenyl)-5-hydroxypentanamide

N-(2-cyano-4-fluorophenyl)-5-hydroxypentanamide (PubChem CID 82684893) has the molecular formula C12H13FN2O2 and a molecular weight of 236.25 g/mol. Its IUPAC name is N-(2-cyano-4-fluorophenyl)-5-hydroxypentanamide.

Molecular Properties

Compound NameN-(2-cyano-4-fluorophenyl)-5-hydroxypentanamide
PubChem CID82684893
Molecular FormulaC12H13FN2O2
Molecular Weight236.25 g/mol
Exact Mass236.10
IUPAC NameN-(2-cyano-4-fluorophenyl)-5-hydroxypentanamide
SMILESN#Cc1cc(F)ccc1NC(=O)CCCCO
InChIInChI=1S/C12H13FN2O2/c13-10-4-5-11(9(7-10)8-14)15-12(17)3-1-2-6-16/h4-5,7,16H,1-3,6H2,(H,15,17)
InChIKeyRBQXTDMHTFPIAL-UHFFFAOYSA-N
XLogP1.80
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 51.80
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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Related Compounds

N-(2-cyano-4-fluorophenyl)-3-sulfanylpropanamide
CID 107033592
N-(2-cyano-4-fluorophenyl)-4-phenylbutanamide
CID 79954684
N-(2-cyano-4-fluorophenyl)-4-ethoxybutanamide
CID 79954693
N-(2-cyano-4-fluorophenyl)propanamide
CID 79952819
N-(2-cyano-4-fluorophenyl)-3,3-dimethylbutanamide
CID 79953681
4-amino-N-(2-cyano-4-fluorophenyl)-4-methylpentanamide
CID 82015813
ethyl 4-(2-cyano-4-fluoroanilino)-4-oxobutanoate
CID 79952676
N-(2-cyano-4-fluorophenyl)-3-propoxypropanamide
CID 82015415
N-(2-cyano-4-fluorophenyl)-3-piperidin-4-ylpropanamide
CID 82016419
4-(2-cyano-4-fluoroanilino)-N-methylbutanamide
CID 82015205
N-(2-cyano-4-fluorophenyl)-2-(2-methylphenyl)acetamide
CID 79955008
2-(azetidin-3-yl)-N-(2-cyano-4-fluorophenyl)acetamide
CID 82015908

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-4-fluorophenyl)-5-hydroxypentanamide?
The IUPAC name of N-(2-cyano-4-fluorophenyl)-5-hydroxypentanamide (CID 82684893) is N-(2-cyano-4-fluorophenyl)-5-hydroxypentanamide.
What is the SMILES notation for N-(2-cyano-4-fluorophenyl)-5-hydroxypentanamide?
The canonical SMILES for N-(2-cyano-4-fluorophenyl)-5-hydroxypentanamide is N#Cc1cc(F)ccc1NC(=O)CCCCO.
What is the InChIKey of N-(2-cyano-4-fluorophenyl)-5-hydroxypentanamide?
The InChIKey is RBQXTDMHTFPIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O2/c13-10-4-5-11(9(7-10)8-14)15-12(17)3-1-2-6-16/h4-5,7,16H,1-3,6H2,(H,15,17).
What are the key properties of N-(2-cyano-4-fluorophenyl)-5-hydroxypentanamide?
N-(2-cyano-4-fluorophenyl)-5-hydroxypentanamide has a molecular weight of 236.25 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-4-fluorophenyl)-5-hydroxypentanamide is sourced from PubChem (CID 82684893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).