N-butyl-3-(3-fluorophenyl)-N-(2-hydroxyethyl)butanamide

C16H24FNO2 — CID 71845846

IUPACN-butyl-3-(3-fluorophenyl)-N-(2-hydroxyethyl)butanamide
SMILESCCCCN(CCO)C(=O)CC(C)c1cccc(F)c1
InChIInChI=1S/C16H24FNO2/c1-3-4-8-18(9-10-19)16(20)11-13(2)14-6-5-7-15(17)12-14/h5-7,12-13,19H,3-4,8-11H2,1-2H3
InChIKeyKWVIGEZKOOSLQP-UHFFFAOYSA-N
MW281.37 g/mol
LogP2.94
Rot. Bonds8

About N-butyl-3-(3-fluorophenyl)-N-(2-hydroxyethyl)butanamide

N-butyl-3-(3-fluorophenyl)-N-(2-hydroxyethyl)butanamide (PubChem CID 71845846) has the molecular formula C16H24FNO2 and a molecular weight of 281.37 g/mol. Its IUPAC name is N-butyl-3-(3-fluorophenyl)-N-(2-hydroxyethyl)butanamide.

Molecular Properties

Compound NameN-butyl-3-(3-fluorophenyl)-N-(2-hydroxyethyl)butanamide
PubChem CID71845846
Molecular FormulaC16H24FNO2
Molecular Weight281.37 g/mol
Exact Mass281.18
IUPAC NameN-butyl-3-(3-fluorophenyl)-N-(2-hydroxyethyl)butanamide
SMILESCCCCN(CCO)C(=O)CC(C)c1cccc(F)c1
InChIInChI=1S/C16H24FNO2/c1-3-4-8-18(9-10-19)16(20)11-13(2)14-6-5-7-15(17)12-14/h5-7,12-13,19H,3-4,8-11H2,1-2H3
InChIKeyKWVIGEZKOOSLQP-UHFFFAOYSA-N
XLogP2.94
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-butyl-3-(3-fluorophenyl)-N-(2-hydroxyethyl)butanamide?
The IUPAC name of N-butyl-3-(3-fluorophenyl)-N-(2-hydroxyethyl)butanamide (CID 71845846) is N-butyl-3-(3-fluorophenyl)-N-(2-hydroxyethyl)butanamide.
What is the SMILES notation for N-butyl-3-(3-fluorophenyl)-N-(2-hydroxyethyl)butanamide?
The canonical SMILES for N-butyl-3-(3-fluorophenyl)-N-(2-hydroxyethyl)butanamide is CCCCN(CCO)C(=O)CC(C)c1cccc(F)c1.
What is the InChIKey of N-butyl-3-(3-fluorophenyl)-N-(2-hydroxyethyl)butanamide?
The InChIKey is KWVIGEZKOOSLQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO2/c1-3-4-8-18(9-10-19)16(20)11-13(2)14-6-5-7-15(17)12-14/h5-7,12-13,19H,3-4,8-11H2,1-2H3.
What are the key properties of N-butyl-3-(3-fluorophenyl)-N-(2-hydroxyethyl)butanamide?
N-butyl-3-(3-fluorophenyl)-N-(2-hydroxyethyl)butanamide has a molecular weight of 281.37 g/mol, XLogP of 2.94, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-(3-fluorophenyl)-N-(2-hydroxyethyl)butanamide is sourced from PubChem (CID 71845846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).