2-amino-N-[1-(2-chloro-6-fluorophenyl)ethyl]pentanamide

C13H18ClFN2O — CID 119343650

IUPAC2-amino-N-[1-(2-chloro-6-fluorophenyl)ethyl]pentanamide
SMILESCCCC(N)C(=O)NC(C)c1c(F)cccc1Cl
InChIInChI=1S/C13H18ClFN2O/c1-3-5-11(16)13(18)17-8(2)12-9(14)6-4-7-10(12)15/h4,6-8,11H,3,5,16H2,1-2H3,(H,17,18)
InChIKeyRPFXFYBGIVXYNZ-UHFFFAOYSA-N
MW272.75 g/mol
LogP2.78
Rot. Bonds5

About 2-amino-N-[1-(2-chloro-6-fluorophenyl)ethyl]pentanamide

2-amino-N-[1-(2-chloro-6-fluorophenyl)ethyl]pentanamide (PubChem CID 119343650) has the molecular formula C13H18ClFN2O and a molecular weight of 272.75 g/mol. Its IUPAC name is 2-amino-N-[1-(2-chloro-6-fluorophenyl)ethyl]pentanamide.

Molecular Properties

Compound Name2-amino-N-[1-(2-chloro-6-fluorophenyl)ethyl]pentanamide
PubChem CID119343650
Molecular FormulaC13H18ClFN2O
Molecular Weight272.75 g/mol
Exact Mass272.11
IUPAC Name2-amino-N-[1-(2-chloro-6-fluorophenyl)ethyl]pentanamide
SMILESCCCC(N)C(=O)NC(C)c1c(F)cccc1Cl
InChIInChI=1S/C13H18ClFN2O/c1-3-5-11(16)13(18)17-8(2)12-9(14)6-4-7-10(12)15/h4,6-8,11H,3,5,16H2,1-2H3,(H,17,18)
InChIKeyRPFXFYBGIVXYNZ-UHFFFAOYSA-N
XLogP2.78
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.75
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-(2-chloro-6-fluorophenyl)pentanamide
CID 107570747
2-amino-N-[1-(2-chloro-6-fluorophenyl)ethyl]-2-methylpentanamide
CID 119818781
(2S)-2-amino-N-[(1R)-1-(3-chlorophenyl)ethyl]pentanamide
CID 93467019
(2R)-2-amino-N-[1-(3,4-dichlorophenyl)ethyl]pentanamide
CID 103794045
2-amino-N-[1-(3,4-dichlorophenyl)ethyl]pentanamide
CID 61249825
(2R)-2-amino-N-[1-(2,6-difluorophenyl)ethyl]propanamide;hydrochloride
CID 119285523
2-amino-N-[1-(2,5-difluorophenyl)ethyl]pentanamide
CID 43699624
4-amino-N-[1-(2,6-difluorophenyl)ethyl]-2-methylbutanamide
CID 80542883
(1S,2R)-1-amino-1-(2-chloro-6-fluorophenyl)pentan-2-ol
CID 171161505
2-amino-N-[1-(4-propan-2-ylphenyl)ethyl]pentanamide;hydrochloride
CID 119269406
1-(2-chloro-6-fluorophenyl)ethanamine
CID 53394777
(2S)-2-amino-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]pentanamide
CID 93267274

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(2-chloro-6-fluorophenyl)ethyl]pentanamide?
The IUPAC name of 2-amino-N-[1-(2-chloro-6-fluorophenyl)ethyl]pentanamide (CID 119343650) is 2-amino-N-[1-(2-chloro-6-fluorophenyl)ethyl]pentanamide.
What is the SMILES notation for 2-amino-N-[1-(2-chloro-6-fluorophenyl)ethyl]pentanamide?
The canonical SMILES for 2-amino-N-[1-(2-chloro-6-fluorophenyl)ethyl]pentanamide is CCCC(N)C(=O)NC(C)c1c(F)cccc1Cl.
What is the InChIKey of 2-amino-N-[1-(2-chloro-6-fluorophenyl)ethyl]pentanamide?
The InChIKey is RPFXFYBGIVXYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClFN2O/c1-3-5-11(16)13(18)17-8(2)12-9(14)6-4-7-10(12)15/h4,6-8,11H,3,5,16H2,1-2H3,(H,17,18).
What are the key properties of 2-amino-N-[1-(2-chloro-6-fluorophenyl)ethyl]pentanamide?
2-amino-N-[1-(2-chloro-6-fluorophenyl)ethyl]pentanamide has a molecular weight of 272.75 g/mol, XLogP of 2.78, 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-chloro-6-fluorophenyl)ethyl]pentanamide is sourced from PubChem (CID 119343650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).