N-[(3,5-difluorophenyl)methyl]-2-(2-methylpropoxy)propanamide

C14H19F2NO2 — CID 47031236

IUPACN-[(3,5-difluorophenyl)methyl]-2-(2-methylpropoxy)propanamide
SMILESCC(C)COC(C)C(=O)NCc1cc(F)cc(F)c1
InChIInChI=1S/C14H19F2NO2/c1-9(2)8-19-10(3)14(18)17-7-11-4-12(15)6-13(16)5-11/h4-6,9-10H,7-8H2,1-3H3,(H,17,18)
InChIKeyBJWNQIGRFSLJSI-UHFFFAOYSA-N
MW271.31 g/mol
LogP2.64
Rot. Bonds6

About N-[(3,5-difluorophenyl)methyl]-2-(2-methylpropoxy)propanamide

N-[(3,5-difluorophenyl)methyl]-2-(2-methylpropoxy)propanamide (PubChem CID 47031236) has the molecular formula C14H19F2NO2 and a molecular weight of 271.31 g/mol. Its IUPAC name is N-[(3,5-difluorophenyl)methyl]-2-(2-methylpropoxy)propanamide.

Molecular Properties

Compound NameN-[(3,5-difluorophenyl)methyl]-2-(2-methylpropoxy)propanamide
PubChem CID47031236
Molecular FormulaC14H19F2NO2
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC NameN-[(3,5-difluorophenyl)methyl]-2-(2-methylpropoxy)propanamide
SMILESCC(C)COC(C)C(=O)NCc1cc(F)cc(F)c1
InChIInChI=1S/C14H19F2NO2/c1-9(2)8-19-10(3)14(18)17-7-11-4-12(15)6-13(16)5-11/h4-6,9-10H,7-8H2,1-3H3,(H,17,18)
InChIKeyBJWNQIGRFSLJSI-UHFFFAOYSA-N
XLogP2.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluorophenyl)methyl]-2-(2-methylpropoxy)propanamide?
The IUPAC name of N-[(3,5-difluorophenyl)methyl]-2-(2-methylpropoxy)propanamide (CID 47031236) is N-[(3,5-difluorophenyl)methyl]-2-(2-methylpropoxy)propanamide.
What is the SMILES notation for N-[(3,5-difluorophenyl)methyl]-2-(2-methylpropoxy)propanamide?
The canonical SMILES for N-[(3,5-difluorophenyl)methyl]-2-(2-methylpropoxy)propanamide is CC(C)COC(C)C(=O)NCc1cc(F)cc(F)c1.
What is the InChIKey of N-[(3,5-difluorophenyl)methyl]-2-(2-methylpropoxy)propanamide?
The InChIKey is BJWNQIGRFSLJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO2/c1-9(2)8-19-10(3)14(18)17-7-11-4-12(15)6-13(16)5-11/h4-6,9-10H,7-8H2,1-3H3,(H,17,18).
What are the key properties of N-[(3,5-difluorophenyl)methyl]-2-(2-methylpropoxy)propanamide?
N-[(3,5-difluorophenyl)methyl]-2-(2-methylpropoxy)propanamide has a molecular weight of 271.31 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-difluorophenyl)methyl]-2-(2-methylpropoxy)propanamide is sourced from PubChem (CID 47031236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).