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

C14H21FN2O — CID 43566279

IUPAC2-amino-N-[2-(3-fluorophenyl)ethyl]-3-methylpentanamide
SMILESCCC(C)C(N)C(=O)NCCc1cccc(F)c1
InChIInChI=1S/C14H21FN2O/c1-3-10(2)13(16)14(18)17-8-7-11-5-4-6-12(15)9-11/h4-6,9-10,13H,3,7-8,16H2,1-2H3,(H,17,18)
InChIKeyBZOIBESPABQPJB-UHFFFAOYSA-N
MW252.33 g/mol
LogP1.86
Rot. Bonds6

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

2-amino-N-[2-(3-fluorophenyl)ethyl]-3-methylpentanamide (PubChem CID 43566279) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 2-amino-N-[2-(3-fluorophenyl)ethyl]-3-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-[2-(3-fluorophenyl)ethyl]-3-methylpentanamide
PubChem CID43566279
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name2-amino-N-[2-(3-fluorophenyl)ethyl]-3-methylpentanamide
SMILESCCC(C)C(N)C(=O)NCCc1cccc(F)c1
InChIInChI=1S/C14H21FN2O/c1-3-10(2)13(16)14(18)17-8-7-11-5-4-6-12(15)9-11/h4-6,9-10,13H,3,7-8,16H2,1-2H3,(H,17,18)
InChIKeyBZOIBESPABQPJB-UHFFFAOYSA-N
XLogP1.86
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[2-(3-fluorophenyl)ethyl]-3-methylbutanamide
CID 43566282
(2S)-2-amino-N-[2-(3-fluorophenyl)ethyl]propanamide
CID 61145838
(2S)-2-amino-N-[2-(3-fluorophenyl)ethyl]butanamide;hydrochloride
CID 119273296
3-[2-[(2-amino-3-methylpentanoyl)amino]ethyl]benzoic acid
CID 63795309
(2S)-2-amino-3-methyl-N-(2-phenylethyl)pentanamide;hydrochloride
CID 67640844
2-amino-N-[2-(3-fluorophenyl)ethyl]-4-methylpentanamide
CID 43566283
(2S)-2-amino-N-[2-(3-fluorophenoxy)ethyl]-3-methylpentanamide
CID 110482529
N-[2-(3-fluorophenyl)ethyl]-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76925067
ethyl 2-[2-(3-fluorophenyl)ethylamino]propanoate
CID 55134787
(2S)-2-amino-3-methyl-N-(3-phenylpropyl)pentanamide
CID 22690930
5-amino-N-[2-(3-fluorophenyl)ethyl]hexanamide
CID 82849123
(2S)-2-amino-N-[2-(4-methoxyphenyl)ethyl]-3-methylpentanamide
CID 22690831

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(3-fluorophenyl)ethyl]-3-methylpentanamide?
The IUPAC name of 2-amino-N-[2-(3-fluorophenyl)ethyl]-3-methylpentanamide (CID 43566279) is 2-amino-N-[2-(3-fluorophenyl)ethyl]-3-methylpentanamide.
What is the SMILES notation for 2-amino-N-[2-(3-fluorophenyl)ethyl]-3-methylpentanamide?
The canonical SMILES for 2-amino-N-[2-(3-fluorophenyl)ethyl]-3-methylpentanamide is CCC(C)C(N)C(=O)NCCc1cccc(F)c1.
What is the InChIKey of 2-amino-N-[2-(3-fluorophenyl)ethyl]-3-methylpentanamide?
The InChIKey is BZOIBESPABQPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-3-10(2)13(16)14(18)17-8-7-11-5-4-6-12(15)9-11/h4-6,9-10,13H,3,7-8,16H2,1-2H3,(H,17,18).
What are the key properties of 2-amino-N-[2-(3-fluorophenyl)ethyl]-3-methylpentanamide?
2-amino-N-[2-(3-fluorophenyl)ethyl]-3-methylpentanamide has a molecular weight of 252.33 g/mol, XLogP of 1.86, 6 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-methylpentanamide is sourced from PubChem (CID 43566279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).