2-amino-N-[1-(3,4-difluorophenyl)ethyl]-2-methylpentanamide

C14H20F2N2O — CID 60847704

IUPAC2-amino-N-[1-(3,4-difluorophenyl)ethyl]-2-methylpentanamide
SMILESCCCC(C)(N)C(=O)NC(C)c1ccc(F)c(F)c1
InChIInChI=1S/C14H20F2N2O/c1-4-7-14(3,17)13(19)18-9(2)10-5-6-11(15)12(16)8-10/h5-6,8-9H,4,7,17H2,1-3H3,(H,18,19)
InChIKeyUQAXACXAWMUCDI-UHFFFAOYSA-N
MW270.32 g/mol
LogP2.66
Rot. Bonds5

About 2-amino-N-[1-(3,4-difluorophenyl)ethyl]-2-methylpentanamide

2-amino-N-[1-(3,4-difluorophenyl)ethyl]-2-methylpentanamide (PubChem CID 60847704) has the molecular formula C14H20F2N2O and a molecular weight of 270.32 g/mol. Its IUPAC name is 2-amino-N-[1-(3,4-difluorophenyl)ethyl]-2-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-[1-(3,4-difluorophenyl)ethyl]-2-methylpentanamide
PubChem CID60847704
Molecular FormulaC14H20F2N2O
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC Name2-amino-N-[1-(3,4-difluorophenyl)ethyl]-2-methylpentanamide
SMILESCCCC(C)(N)C(=O)NC(C)c1ccc(F)c(F)c1
InChIInChI=1S/C14H20F2N2O/c1-4-7-14(3,17)13(19)18-9(2)10-5-6-11(15)12(16)8-10/h5-6,8-9H,4,7,17H2,1-3H3,(H,18,19)
InChIKeyUQAXACXAWMUCDI-UHFFFAOYSA-N
XLogP2.66
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[1-(3-chloro-4-fluorophenyl)ethyl]-2-methylpentanamide
CID 119745685
2-amino-N-[1-(3,5-dimethylphenyl)ethyl]-2-methylpentanamide;hydrochloride
CID 119778527
(2R)-2-amino-2-methyl-N-[(1R)-1-phenylethyl]pentanamide
CID 93340243
2-amino-2-methyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]pentanamide
CID 60847702
2-(tert-butylamino)-N-[1-(3,4-difluorophenyl)ethyl]acetamide
CID 47839633
2-amino-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-methylpentanamide
CID 60847374
N-[1-(3,4-difluorophenyl)ethyl]butanamide
CID 60630405
2-amino-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-2-methylpentanamide;hydrochloride
CID 119716790
2-amino-N-[1-(2-chloro-6-fluorophenyl)ethyl]-2-methylpentanamide
CID 119818781
2-amino-2-methyl-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]pentanamide;hydrochloride
CID 119771247
2-amino-N-[4-(4-fluorophenyl)-4-hydroxybutan-2-yl]-2-methylpentanamide;hydrochloride
CID 119822525
N-[1-(3,4-difluorophenyl)ethyl]-2-ethylbutanamide
CID 78778244

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(3,4-difluorophenyl)ethyl]-2-methylpentanamide?
The IUPAC name of 2-amino-N-[1-(3,4-difluorophenyl)ethyl]-2-methylpentanamide (CID 60847704) is 2-amino-N-[1-(3,4-difluorophenyl)ethyl]-2-methylpentanamide.
What is the SMILES notation for 2-amino-N-[1-(3,4-difluorophenyl)ethyl]-2-methylpentanamide?
The canonical SMILES for 2-amino-N-[1-(3,4-difluorophenyl)ethyl]-2-methylpentanamide is CCCC(C)(N)C(=O)NC(C)c1ccc(F)c(F)c1.
What is the InChIKey of 2-amino-N-[1-(3,4-difluorophenyl)ethyl]-2-methylpentanamide?
The InChIKey is UQAXACXAWMUCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O/c1-4-7-14(3,17)13(19)18-9(2)10-5-6-11(15)12(16)8-10/h5-6,8-9H,4,7,17H2,1-3H3,(H,18,19).
What are the key properties of 2-amino-N-[1-(3,4-difluorophenyl)ethyl]-2-methylpentanamide?
2-amino-N-[1-(3,4-difluorophenyl)ethyl]-2-methylpentanamide has a molecular weight of 270.32 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(3,4-difluorophenyl)ethyl]-2-methylpentanamide is sourced from PubChem (CID 60847704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).