N-(3-fluorobutan-2-yl)-4-hydroxy-N-propylbutanamide

C11H22FNO2 — CID 87922265

IUPACN-(3-fluorobutan-2-yl)-4-hydroxy-N-propylbutanamide
SMILESCCCN(C(=O)CCCO)C(C)C(C)F
InChIInChI=1S/C11H22FNO2/c1-4-7-13(10(3)9(2)12)11(15)6-5-8-14/h9-10,14H,4-8H2,1-3H3
InChIKeyZYENBPRTLHXPIS-UHFFFAOYSA-N
MW219.30 g/mol
LogP1.74
Rot. Bonds7

About N-(3-fluorobutan-2-yl)-4-hydroxy-N-propylbutanamide

N-(3-fluorobutan-2-yl)-4-hydroxy-N-propylbutanamide (PubChem CID 87922265) has the molecular formula C11H22FNO2 and a molecular weight of 219.30 g/mol. Its IUPAC name is N-(3-fluorobutan-2-yl)-4-hydroxy-N-propylbutanamide.

Molecular Properties

Compound NameN-(3-fluorobutan-2-yl)-4-hydroxy-N-propylbutanamide
PubChem CID87922265
Molecular FormulaC11H22FNO2
Molecular Weight219.30 g/mol
Exact Mass219.16
IUPAC NameN-(3-fluorobutan-2-yl)-4-hydroxy-N-propylbutanamide
SMILESCCCN(C(=O)CCCO)C(C)C(C)F
InChIInChI=1S/C11H22FNO2/c1-4-7-13(10(3)9(2)12)11(15)6-5-8-14/h9-10,14H,4-8H2,1-3H3
InChIKeyZYENBPRTLHXPIS-UHFFFAOYSA-N
XLogP1.74
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.30
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorobutan-2-yl)-4-hydroxy-N-propylbutanamide?
The IUPAC name of N-(3-fluorobutan-2-yl)-4-hydroxy-N-propylbutanamide (CID 87922265) is N-(3-fluorobutan-2-yl)-4-hydroxy-N-propylbutanamide.
What is the SMILES notation for N-(3-fluorobutan-2-yl)-4-hydroxy-N-propylbutanamide?
The canonical SMILES for N-(3-fluorobutan-2-yl)-4-hydroxy-N-propylbutanamide is CCCN(C(=O)CCCO)C(C)C(C)F.
What is the InChIKey of N-(3-fluorobutan-2-yl)-4-hydroxy-N-propylbutanamide?
The InChIKey is ZYENBPRTLHXPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22FNO2/c1-4-7-13(10(3)9(2)12)11(15)6-5-8-14/h9-10,14H,4-8H2,1-3H3.
What are the key properties of N-(3-fluorobutan-2-yl)-4-hydroxy-N-propylbutanamide?
N-(3-fluorobutan-2-yl)-4-hydroxy-N-propylbutanamide has a molecular weight of 219.30 g/mol, XLogP of 1.74, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorobutan-2-yl)-4-hydroxy-N-propylbutanamide is sourced from PubChem (CID 87922265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).