2-amino-N-[(2-fluorophenyl)methyl]-N-methylpentanamide

C13H19FN2O — CID 43650342

IUPAC2-amino-N-[(2-fluorophenyl)methyl]-N-methylpentanamide
SMILESCCCC(N)C(=O)N(C)Cc1ccccc1F
InChIInChI=1S/C13H19FN2O/c1-3-6-12(15)13(17)16(2)9-10-7-4-5-8-11(10)14/h4-5,7-8,12H,3,6,9,15H2,1-2H3
InChIKeyOCZWNGUMMBGIJR-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.91
Rot. Bonds5

About 2-amino-N-[(2-fluorophenyl)methyl]-N-methylpentanamide

2-amino-N-[(2-fluorophenyl)methyl]-N-methylpentanamide (PubChem CID 43650342) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 2-amino-N-[(2-fluorophenyl)methyl]-N-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-[(2-fluorophenyl)methyl]-N-methylpentanamide
PubChem CID43650342
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name2-amino-N-[(2-fluorophenyl)methyl]-N-methylpentanamide
SMILESCCCC(N)C(=O)N(C)Cc1ccccc1F
InChIInChI=1S/C13H19FN2O/c1-3-6-12(15)13(17)16(2)9-10-7-4-5-8-11(10)14/h4-5,7-8,12H,3,6,9,15H2,1-2H3
InChIKeyOCZWNGUMMBGIJR-UHFFFAOYSA-N
XLogP1.91
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[(2-fluorophenyl)methyl]-N-methylbutanamide
CID 43649648
2-amino-N-[(2-fluorophenyl)methyl]-3-methoxy-N-methylpropanamide;hydrochloride
CID 120983321
(2S)-2-amino-N-[(5-cyano-2-fluorophenyl)methyl]-N-methylpentanamide
CID 93371369
(2S)-2-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpentanamide
CID 93367493
2-amino-N-[(2-chlorophenyl)methyl]-N-methylhexanamide
CID 54869039
(2R)-2-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylpentanamide
CID 93368342
(2S)-2-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylpentanamide
CID 93368341
(2-fluorophenyl)methyl (2S)-2-aminopentanoate
CID 107565767
N-[(2-fluorophenyl)methyl]-N-methyl-2,2-diphenylacetamide
CID 4803955
N-[(2-fluorophenyl)methyl]-2-(N'-hydroxycarbamimidoyl)-N-methylbutanamide
CID 76925666
2-[[(2-fluorophenyl)methyl-methylcarbamoyl]amino]pentanoic acid
CID 61413250
(2-fluorophenyl)methyl-methylcarbamic acid
CID 115171049

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2-fluorophenyl)methyl]-N-methylpentanamide?
The IUPAC name of 2-amino-N-[(2-fluorophenyl)methyl]-N-methylpentanamide (CID 43650342) is 2-amino-N-[(2-fluorophenyl)methyl]-N-methylpentanamide.
What is the SMILES notation for 2-amino-N-[(2-fluorophenyl)methyl]-N-methylpentanamide?
The canonical SMILES for 2-amino-N-[(2-fluorophenyl)methyl]-N-methylpentanamide is CCCC(N)C(=O)N(C)Cc1ccccc1F.
What is the InChIKey of 2-amino-N-[(2-fluorophenyl)methyl]-N-methylpentanamide?
The InChIKey is OCZWNGUMMBGIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-3-6-12(15)13(17)16(2)9-10-7-4-5-8-11(10)14/h4-5,7-8,12H,3,6,9,15H2,1-2H3.
What are the key properties of 2-amino-N-[(2-fluorophenyl)methyl]-N-methylpentanamide?
2-amino-N-[(2-fluorophenyl)methyl]-N-methylpentanamide has a molecular weight of 238.31 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2-fluorophenyl)methyl]-N-methylpentanamide is sourced from PubChem (CID 43650342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).