2-amino-N-[2-(3-fluorophenyl)ethyl]-4-methylpentanamide

C14H21FN2O — CID 43566283

IUPAC2-amino-N-[2-(3-fluorophenyl)ethyl]-4-methylpentanamide
SMILESCC(C)CC(N)C(=O)NCCc1cccc(F)c1
InChIInChI=1S/C14H21FN2O/c1-10(2)8-13(16)14(18)17-7-6-11-4-3-5-12(15)9-11/h3-5,9-10,13H,6-8,16H2,1-2H3,(H,17,18)
InChIKeySYKLNUJWGAEKRA-UHFFFAOYSA-N
MW252.33 g/mol
LogP1.86
Rot. Bonds6

About 2-amino-N-[2-(3-fluorophenyl)ethyl]-4-methylpentanamide

2-amino-N-[2-(3-fluorophenyl)ethyl]-4-methylpentanamide (PubChem CID 43566283) 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]-4-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-[2-(3-fluorophenyl)ethyl]-4-methylpentanamide
PubChem CID43566283
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name2-amino-N-[2-(3-fluorophenyl)ethyl]-4-methylpentanamide
SMILESCC(C)CC(N)C(=O)NCCc1cccc(F)c1
InChIInChI=1S/C14H21FN2O/c1-10(2)8-13(16)14(18)17-7-6-11-4-3-5-12(15)9-11/h3-5,9-10,13H,6-8,16H2,1-2H3,(H,17,18)
InChIKeySYKLNUJWGAEKRA-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

(2S)-2-amino-N-[2-(3-fluorophenyl)ethyl]propanamide
CID 61145838
(2R)-2-amino-N-[2-(3,5-difluorophenyl)ethyl]-4-methylpentanamide
CID 104903415
(2S)-2-amino-N-[2-(3-fluorophenyl)ethyl]butanamide;hydrochloride
CID 119273296
2-amino-N-[2-(3-fluorophenyl)ethyl]-3-methylbutanamide
CID 43566282
(2S)-2-amino-N-[2-(4-fluorophenyl)ethyl]-4-methylpentanamide;hydrochloride
CID 119675788
2-amino-N-[2-(3-fluorophenyl)ethyl]-3-methylpentanamide
CID 43566279
1-[2-(3-fluorophenyl)ethyl]-3-(1-hydroxypropan-2-yl)urea
CID 110892882
2-amino-4-methyl-N-(2-pyridin-3-ylethyl)pentanamide
CID 60913916
5-amino-N-[2-(3-fluorophenyl)ethyl]hexanamide
CID 82849123
(2S)-2-amino-4-methyl-N-[2-(4-methylsulfanylphenyl)ethyl]pentanamide
CID 110482514
(2S)-2-amino-4-methyl-N-(3-phenylpropyl)pentanamide
CID 22691113
(2S)-2-amino-N-[2-(4-bromophenyl)ethyl]-4-methylpentanamide
CID 94721387

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(3-fluorophenyl)ethyl]-4-methylpentanamide?
The IUPAC name of 2-amino-N-[2-(3-fluorophenyl)ethyl]-4-methylpentanamide (CID 43566283) is 2-amino-N-[2-(3-fluorophenyl)ethyl]-4-methylpentanamide.
What is the SMILES notation for 2-amino-N-[2-(3-fluorophenyl)ethyl]-4-methylpentanamide?
The canonical SMILES for 2-amino-N-[2-(3-fluorophenyl)ethyl]-4-methylpentanamide is CC(C)CC(N)C(=O)NCCc1cccc(F)c1.
What is the InChIKey of 2-amino-N-[2-(3-fluorophenyl)ethyl]-4-methylpentanamide?
The InChIKey is SYKLNUJWGAEKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-10(2)8-13(16)14(18)17-7-6-11-4-3-5-12(15)9-11/h3-5,9-10,13H,6-8,16H2,1-2H3,(H,17,18).
What are the key properties of 2-amino-N-[2-(3-fluorophenyl)ethyl]-4-methylpentanamide?
2-amino-N-[2-(3-fluorophenyl)ethyl]-4-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]-4-methylpentanamide is sourced from PubChem (CID 43566283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).