2-amino-N-[2-(3-fluorophenyl)ethyl]-3-methylbutanamide

C13H19FN2O — CID 43566282

IUPAC2-amino-N-[2-(3-fluorophenyl)ethyl]-3-methylbutanamide
SMILESCC(C)C(N)C(=O)NCCc1cccc(F)c1
InChIInChI=1S/C13H19FN2O/c1-9(2)12(15)13(17)16-7-6-10-4-3-5-11(14)8-10/h3-5,8-9,12H,6-7,15H2,1-2H3,(H,16,17)
InChIKeyDEBXDDIDSJYJAZ-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.47
Rot. Bonds5

About 2-amino-N-[2-(3-fluorophenyl)ethyl]-3-methylbutanamide

2-amino-N-[2-(3-fluorophenyl)ethyl]-3-methylbutanamide (PubChem CID 43566282) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 2-amino-N-[2-(3-fluorophenyl)ethyl]-3-methylbutanamide.

Molecular Properties

Compound Name2-amino-N-[2-(3-fluorophenyl)ethyl]-3-methylbutanamide
PubChem CID43566282
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name2-amino-N-[2-(3-fluorophenyl)ethyl]-3-methylbutanamide
SMILESCC(C)C(N)C(=O)NCCc1cccc(F)c1
InChIInChI=1S/C13H19FN2O/c1-9(2)12(15)13(17)16-7-6-10-4-3-5-11(14)8-10/h3-5,8-9,12H,6-7,15H2,1-2H3,(H,16,17)
InChIKeyDEBXDDIDSJYJAZ-UHFFFAOYSA-N
XLogP1.47
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-[2-(3-fluorophenyl)ethyl]propanamide
CID 61145838
2-amino-N-[2-(3-fluorophenyl)ethyl]-3-methylpentanamide
CID 43566279
(2R)-2-amino-3-methyl-N-[2-(3-methylphenyl)ethyl]butanamide
CID 79013185
2-amino-N-[2-(3-fluorophenyl)ethyl]-4-methylpentanamide
CID 43566283
(2S)-2-amino-N-[2-(3-fluorophenyl)ethyl]butanamide;hydrochloride
CID 119273296
3-[2-[(2-amino-3-methylbutanoyl)amino]ethyl]benzoic acid
CID 63794615
2-amino-N-[2-(3-chlorophenyl)ethyl]-3-methylbutanamide;hydrochloride
CID 119270589
1-[2-(3-fluorophenyl)ethyl]-3-(1-hydroxypropan-2-yl)urea
CID 110892882
5-amino-N-[2-(3-fluorophenyl)ethyl]hexanamide
CID 82849123
(2S)-2-amino-N-[2-(4-ethylphenyl)ethyl]-3-methylbutanamide
CID 94689619
2-amino-N-[2-(3-fluorophenoxy)ethyl]-3-methylbutanamide
CID 110481408
2-(3-fluorophenyl)ethylcarbamothioic S-acid
CID 115170336

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(3-fluorophenyl)ethyl]-3-methylbutanamide?
The IUPAC name of 2-amino-N-[2-(3-fluorophenyl)ethyl]-3-methylbutanamide (CID 43566282) is 2-amino-N-[2-(3-fluorophenyl)ethyl]-3-methylbutanamide.
What is the SMILES notation for 2-amino-N-[2-(3-fluorophenyl)ethyl]-3-methylbutanamide?
The canonical SMILES for 2-amino-N-[2-(3-fluorophenyl)ethyl]-3-methylbutanamide is CC(C)C(N)C(=O)NCCc1cccc(F)c1.
What is the InChIKey of 2-amino-N-[2-(3-fluorophenyl)ethyl]-3-methylbutanamide?
The InChIKey is DEBXDDIDSJYJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-9(2)12(15)13(17)16-7-6-10-4-3-5-11(14)8-10/h3-5,8-9,12H,6-7,15H2,1-2H3,(H,16,17).
What are the key properties of 2-amino-N-[2-(3-fluorophenyl)ethyl]-3-methylbutanamide?
2-amino-N-[2-(3-fluorophenyl)ethyl]-3-methylbutanamide has a molecular weight of 238.31 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(3-fluorophenyl)ethyl]-3-methylbutanamide is sourced from PubChem (CID 43566282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).