N-[2-(2,4-difluorophenyl)ethyl]-2-(hydroxymethyl)butanamide

C13H17F2NO2 — CID 115186704

IUPACN-[2-(2,4-difluorophenyl)ethyl]-2-(hydroxymethyl)butanamide
SMILESCCC(CO)C(=O)NCCc1ccc(F)cc1F
InChIInChI=1S/C13H17F2NO2/c1-2-9(8-17)13(18)16-6-5-10-3-4-11(14)7-12(10)15/h3-4,7,9,17H,2,5-6,8H2,1H3,(H,16,18)
InChIKeyPIXKQYLNXZNYDV-UHFFFAOYSA-N
MW257.28 g/mol
LogP1.64
Rot. Bonds6

About N-[2-(2,4-difluorophenyl)ethyl]-2-(hydroxymethyl)butanamide

N-[2-(2,4-difluorophenyl)ethyl]-2-(hydroxymethyl)butanamide (PubChem CID 115186704) has the molecular formula C13H17F2NO2 and a molecular weight of 257.28 g/mol. Its IUPAC name is N-[2-(2,4-difluorophenyl)ethyl]-2-(hydroxymethyl)butanamide.

Molecular Properties

Compound NameN-[2-(2,4-difluorophenyl)ethyl]-2-(hydroxymethyl)butanamide
PubChem CID115186704
Molecular FormulaC13H17F2NO2
Molecular Weight257.28 g/mol
Exact Mass257.12
IUPAC NameN-[2-(2,4-difluorophenyl)ethyl]-2-(hydroxymethyl)butanamide
SMILESCCC(CO)C(=O)NCCc1ccc(F)cc1F
InChIInChI=1S/C13H17F2NO2/c1-2-9(8-17)13(18)16-6-5-10-3-4-11(14)7-12(10)15/h3-4,7,9,17H,2,5-6,8H2,1H3,(H,16,18)
InChIKeyPIXKQYLNXZNYDV-UHFFFAOYSA-N
XLogP1.64
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.28
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-2-(hydroxymethyl)butanamide
CID 115186683
N-[2-(2,4-difluorophenyl)ethyl]-2-hydroxyacetamide
CID 115140069
N-[2-(2,4-difluorophenyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 110789003
N-[2-(2,4-difluorophenyl)ethyl]-2-hydroxy-2-phenylacetamide
CID 111538524
2-ethyl-N-[2-(2,3,4-trifluorophenyl)ethyl]butanamide
CID 110481347
1-[2-(2,4-difluorophenyl)ethyl]-3-(2-hydroxy-3-methylpentyl)urea
CID 111338565
1-butan-2-yl-3-[2-(2,4-difluorophenyl)ethyl]-2-methylguanidine
CID 111545419
N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-(hydroxymethyl)butanamide
CID 115186690
N-[(5-chloro-2-fluorophenyl)methyl]-2-(hydroxymethyl)butanamide
CID 115186572
N-[2-(2,4-difluorophenyl)ethyl]-4-(dimethylamino)benzamide
CID 110795613
(2R)-2-[(2,4-difluorophenyl)methyl]butanoic acid
CID 94371784
2-(hydroxymethyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]butanamide
CID 115186689

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-difluorophenyl)ethyl]-2-(hydroxymethyl)butanamide?
The IUPAC name of N-[2-(2,4-difluorophenyl)ethyl]-2-(hydroxymethyl)butanamide (CID 115186704) is N-[2-(2,4-difluorophenyl)ethyl]-2-(hydroxymethyl)butanamide.
What is the SMILES notation for N-[2-(2,4-difluorophenyl)ethyl]-2-(hydroxymethyl)butanamide?
The canonical SMILES for N-[2-(2,4-difluorophenyl)ethyl]-2-(hydroxymethyl)butanamide is CCC(CO)C(=O)NCCc1ccc(F)cc1F.
What is the InChIKey of N-[2-(2,4-difluorophenyl)ethyl]-2-(hydroxymethyl)butanamide?
The InChIKey is PIXKQYLNXZNYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO2/c1-2-9(8-17)13(18)16-6-5-10-3-4-11(14)7-12(10)15/h3-4,7,9,17H,2,5-6,8H2,1H3,(H,16,18).
What are the key properties of N-[2-(2,4-difluorophenyl)ethyl]-2-(hydroxymethyl)butanamide?
N-[2-(2,4-difluorophenyl)ethyl]-2-(hydroxymethyl)butanamide has a molecular weight of 257.28 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-difluorophenyl)ethyl]-2-(hydroxymethyl)butanamide is sourced from PubChem (CID 115186704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).