N-[3-[2-(butylamino)-1-hydroxyethyl]-2,6-difluorophenyl]acetamide

C14H20F2N2O2 — CID 138473182

IUPACN-[3-[2-(butylamino)-1-hydroxyethyl]-2,6-difluorophenyl]acetamide
SMILESCCCCNCC(O)c1ccc(F)c(NC(C)=O)c1F
InChIInChI=1S/C14H20F2N2O2/c1-3-4-7-17-8-12(20)10-5-6-11(15)14(13(10)16)18-9(2)19/h5-6,12,17,20H,3-4,7-8H2,1-2H3,(H,18,19)
InChIKeyDDMRZVCRIFHGJU-UHFFFAOYSA-N
MW286.32 g/mol
LogP2.35
Rot. Bonds7

About N-[3-[2-(butylamino)-1-hydroxyethyl]-2,6-difluorophenyl]acetamide

N-[3-[2-(butylamino)-1-hydroxyethyl]-2,6-difluorophenyl]acetamide (PubChem CID 138473182) has the molecular formula C14H20F2N2O2 and a molecular weight of 286.32 g/mol. Its IUPAC name is N-[3-[2-(butylamino)-1-hydroxyethyl]-2,6-difluorophenyl]acetamide.

Molecular Properties

Compound NameN-[3-[2-(butylamino)-1-hydroxyethyl]-2,6-difluorophenyl]acetamide
PubChem CID138473182
Molecular FormulaC14H20F2N2O2
Molecular Weight286.32 g/mol
Exact Mass286.15
IUPAC NameN-[3-[2-(butylamino)-1-hydroxyethyl]-2,6-difluorophenyl]acetamide
SMILESCCCCNCC(O)c1ccc(F)c(NC(C)=O)c1F
InChIInChI=1S/C14H20F2N2O2/c1-3-4-7-17-8-12(20)10-5-6-11(15)14(13(10)16)18-9(2)19/h5-6,12,17,20H,3-4,7-8H2,1-2H3,(H,18,19)
InChIKeyDDMRZVCRIFHGJU-UHFFFAOYSA-N
XLogP2.35
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(butylamino)-1-hydroxyethyl]-2,6-difluorophenyl]acetamide?
The IUPAC name of N-[3-[2-(butylamino)-1-hydroxyethyl]-2,6-difluorophenyl]acetamide (CID 138473182) is N-[3-[2-(butylamino)-1-hydroxyethyl]-2,6-difluorophenyl]acetamide.
What is the SMILES notation for N-[3-[2-(butylamino)-1-hydroxyethyl]-2,6-difluorophenyl]acetamide?
The canonical SMILES for N-[3-[2-(butylamino)-1-hydroxyethyl]-2,6-difluorophenyl]acetamide is CCCCNCC(O)c1ccc(F)c(NC(C)=O)c1F.
What is the InChIKey of N-[3-[2-(butylamino)-1-hydroxyethyl]-2,6-difluorophenyl]acetamide?
The InChIKey is DDMRZVCRIFHGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O2/c1-3-4-7-17-8-12(20)10-5-6-11(15)14(13(10)16)18-9(2)19/h5-6,12,17,20H,3-4,7-8H2,1-2H3,(H,18,19).
What are the key properties of N-[3-[2-(butylamino)-1-hydroxyethyl]-2,6-difluorophenyl]acetamide?
N-[3-[2-(butylamino)-1-hydroxyethyl]-2,6-difluorophenyl]acetamide has a molecular weight of 286.32 g/mol, XLogP of 2.35, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(butylamino)-1-hydroxyethyl]-2,6-difluorophenyl]acetamide is sourced from PubChem (CID 138473182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).