2-[1-(3-fluorophenyl)ethylamino]-N-(2-methylbutan-2-yl)acetamide

C15H23FN2O — CID 60674328

IUPAC2-[1-(3-fluorophenyl)ethylamino]-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)CNC(C)c1cccc(F)c1
InChIInChI=1S/C15H23FN2O/c1-5-15(3,4)18-14(19)10-17-11(2)12-7-6-8-13(16)9-12/h6-9,11,17H,5,10H2,1-4H3,(H,18,19)
InChIKeyIHVGLSCVVBZTOZ-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.78
Rot. Bonds6

About 2-[1-(3-fluorophenyl)ethylamino]-N-(2-methylbutan-2-yl)acetamide

2-[1-(3-fluorophenyl)ethylamino]-N-(2-methylbutan-2-yl)acetamide (PubChem CID 60674328) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 2-[1-(3-fluorophenyl)ethylamino]-N-(2-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[1-(3-fluorophenyl)ethylamino]-N-(2-methylbutan-2-yl)acetamide
PubChem CID60674328
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name2-[1-(3-fluorophenyl)ethylamino]-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)CNC(C)c1cccc(F)c1
InChIInChI=1S/C15H23FN2O/c1-5-15(3,4)18-14(19)10-17-11(2)12-7-6-8-13(16)9-12/h6-9,11,17H,5,10H2,1-4H3,(H,18,19)
InChIKeyIHVGLSCVVBZTOZ-UHFFFAOYSA-N
XLogP2.78
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-(2-methylbutan-2-yl)acetamide
CID 81371630
2-[1-(3-fluorophenyl)ethylamino]-N-(3-methylbutan-2-yl)acetamide
CID 60694421
N-cycloheptyl-2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]acetamide
CID 81352151
N-tert-butyl-2-[1-(3-hydroxyphenyl)ethylamino]acetamide
CID 113293150
N-[1-(3-fluorophenyl)ethyl]-2,2-dimethylbutan-1-amine
CID 103460526
N-(cyclopropylmethyl)-2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]acetamide
CID 81365357
1-(azepan-1-yl)-2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]ethanone
CID 81364854
2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]-1-piperidin-1-ylethanone
CID 81365567
N-(3-bromophenyl)-2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]acetamide
CID 81352967
N-(2-chlorophenyl)-2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]acetamide
CID 81352559
N-(2-methylbutan-2-yl)-2-[1-(2-methylphenyl)ethylamino]acetamide
CID 60674187
N-(2-methylbutan-2-yl)-2-[[(1S)-1-thiophen-2-ylethyl]amino]acetamide
CID 81409137

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-fluorophenyl)ethylamino]-N-(2-methylbutan-2-yl)acetamide?
The IUPAC name of 2-[1-(3-fluorophenyl)ethylamino]-N-(2-methylbutan-2-yl)acetamide (CID 60674328) is 2-[1-(3-fluorophenyl)ethylamino]-N-(2-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-[1-(3-fluorophenyl)ethylamino]-N-(2-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-[1-(3-fluorophenyl)ethylamino]-N-(2-methylbutan-2-yl)acetamide is CCC(C)(C)NC(=O)CNC(C)c1cccc(F)c1.
What is the InChIKey of 2-[1-(3-fluorophenyl)ethylamino]-N-(2-methylbutan-2-yl)acetamide?
The InChIKey is IHVGLSCVVBZTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-5-15(3,4)18-14(19)10-17-11(2)12-7-6-8-13(16)9-12/h6-9,11,17H,5,10H2,1-4H3,(H,18,19).
What are the key properties of 2-[1-(3-fluorophenyl)ethylamino]-N-(2-methylbutan-2-yl)acetamide?
2-[1-(3-fluorophenyl)ethylamino]-N-(2-methylbutan-2-yl)acetamide has a molecular weight of 266.36 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-fluorophenyl)ethylamino]-N-(2-methylbutan-2-yl)acetamide is sourced from PubChem (CID 60674328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).