2-amino-N-[1-(2,5-difluorophenyl)ethyl]pentanamide

C13H18F2N2O — CID 43699624

IUPAC2-amino-N-[1-(2,5-difluorophenyl)ethyl]pentanamide
SMILESCCCC(N)C(=O)NC(C)c1cc(F)ccc1F
InChIInChI=1S/C13H18F2N2O/c1-3-4-12(16)13(18)17-8(2)10-7-9(14)5-6-11(10)15/h5-8,12H,3-4,16H2,1-2H3,(H,17,18)
InChIKeyQIHFJHXDBSRYRR-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.27
Rot. Bonds5

About 2-amino-N-[1-(2,5-difluorophenyl)ethyl]pentanamide

2-amino-N-[1-(2,5-difluorophenyl)ethyl]pentanamide (PubChem CID 43699624) has the molecular formula C13H18F2N2O and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-amino-N-[1-(2,5-difluorophenyl)ethyl]pentanamide.

Molecular Properties

Compound Name2-amino-N-[1-(2,5-difluorophenyl)ethyl]pentanamide
PubChem CID43699624
Molecular FormulaC13H18F2N2O
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name2-amino-N-[1-(2,5-difluorophenyl)ethyl]pentanamide
SMILESCCCC(N)C(=O)NC(C)c1cc(F)ccc1F
InChIInChI=1S/C13H18F2N2O/c1-3-4-12(16)13(18)17-8(2)10-7-9(14)5-6-11(10)15/h5-8,12H,3-4,16H2,1-2H3,(H,17,18)
InChIKeyQIHFJHXDBSRYRR-UHFFFAOYSA-N
XLogP2.27
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-[1-(2,5-difluorophenyl)ethyl]butanamide
CID 79025345
2-amino-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]pentanamide
CID 119324653
2-bromo-N-[1-(2,5-difluorophenyl)ethyl]butanamide
CID 55126066
(2S)-2-amino-N-[1-(2,4-difluorophenyl)ethyl]butanamide;hydrochloride
CID 119269517
N-[1-(2,5-difluorophenyl)ethyl]-3-(ethylamino)-2-methylpropanamide
CID 62852524
N-[1-(2,5-difluorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide
CID 79195587
N-[1-(2,5-difluorophenyl)ethyl]-4-hydroxypentanamide
CID 79201225
N-[1-(2,5-difluorophenyl)ethyl]pentan-2-amine
CID 43191491
(2R)-2-amino-N-[(1R)-1-(2-fluorophenyl)ethyl]butanamide
CID 81377906
2-amino-N-[1-(2-bromophenyl)ethyl]pentanamide;hydrochloride
CID 119269427
(2S)-2-amino-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]hexanamide
CID 93339949
2-amino-N-[1-(2-chloro-6-fluorophenyl)ethyl]pentanamide
CID 119343650

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(2,5-difluorophenyl)ethyl]pentanamide?
The IUPAC name of 2-amino-N-[1-(2,5-difluorophenyl)ethyl]pentanamide (CID 43699624) is 2-amino-N-[1-(2,5-difluorophenyl)ethyl]pentanamide.
What is the SMILES notation for 2-amino-N-[1-(2,5-difluorophenyl)ethyl]pentanamide?
The canonical SMILES for 2-amino-N-[1-(2,5-difluorophenyl)ethyl]pentanamide is CCCC(N)C(=O)NC(C)c1cc(F)ccc1F.
What is the InChIKey of 2-amino-N-[1-(2,5-difluorophenyl)ethyl]pentanamide?
The InChIKey is QIHFJHXDBSRYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O/c1-3-4-12(16)13(18)17-8(2)10-7-9(14)5-6-11(10)15/h5-8,12H,3-4,16H2,1-2H3,(H,17,18).
What are the key properties of 2-amino-N-[1-(2,5-difluorophenyl)ethyl]pentanamide?
2-amino-N-[1-(2,5-difluorophenyl)ethyl]pentanamide has a molecular weight of 256.30 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(2,5-difluorophenyl)ethyl]pentanamide is sourced from PubChem (CID 43699624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).