6-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]hexanamide

C14H21FN2O — CID 81366520

IUPAC6-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]hexanamide
SMILESC[C@@H](NC(=O)CCCCCN)c1cccc(F)c1
InChIInChI=1S/C14H21FN2O/c1-11(12-6-5-7-13(15)10-12)17-14(18)8-3-2-4-9-16/h5-7,10-11H,2-4,8-9,16H2,1H3,(H,17,18)/t11-/m1/s1
InChIKeyNODFBSBORPIQPX-LLVKDONJSA-N
MW252.33 g/mol
LogP2.52
Rot. Bonds7

About 6-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]hexanamide

6-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]hexanamide (PubChem CID 81366520) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 6-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]hexanamide.

Molecular Properties

Compound Name6-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]hexanamide
PubChem CID81366520
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name6-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]hexanamide
SMILESC[C@@H](NC(=O)CCCCCN)c1cccc(F)c1
InChIInChI=1S/C14H21FN2O/c1-11(12-6-5-7-13(15)10-12)17-14(18)8-3-2-4-9-16/h5-7,10-11H,2-4,8-9,16H2,1H3,(H,17,18)/t11-/m1/s1
InChIKeyNODFBSBORPIQPX-LLVKDONJSA-N
XLogP2.52
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1-(3-fluorophenyl)ethyl]-5-hydroxypentanamide
CID 79199383
N-[(1R)-1-(3-fluorophenyl)ethyl]-4-hydroxybutanamide
CID 81366330
5-amino-N-[(1R)-1-(3-bromophenyl)ethyl]pentanamide
CID 81376172
N-[(1S)-1-(3-fluorophenyl)ethyl]butanamide
CID 81366054
4-amino-N-[(1S)-1-(3-fluorophenyl)ethyl]-4-methylpentanamide
CID 81366180
4-amino-N-[(1S)-1-(3-methylphenyl)ethyl]butanamide
CID 81360738
2-bromo-N-[(1R)-1-(3-fluorophenyl)ethyl]acetamide
CID 81365784
4-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]butanamide
CID 81350119
6-amino-N-(1-pyridin-3-ylethyl)hexanamide
CID 43523747
6-amino-N-[(1R)-1-(4-chlorophenyl)ethyl]hexanamide
CID 81353655
6-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]hexanamide
CID 81355233
7-amino-N-(1-pyridin-3-ylethyl)heptanamide;hydrochloride
CID 119998836

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]hexanamide?
The IUPAC name of 6-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]hexanamide (CID 81366520) is 6-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]hexanamide.
What is the SMILES notation for 6-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]hexanamide?
The canonical SMILES for 6-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]hexanamide is C[C@@H](NC(=O)CCCCCN)c1cccc(F)c1.
What is the InChIKey of 6-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]hexanamide?
The InChIKey is NODFBSBORPIQPX-LLVKDONJSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-11(12-6-5-7-13(15)10-12)17-14(18)8-3-2-4-9-16/h5-7,10-11H,2-4,8-9,16H2,1H3,(H,17,18)/t11-/m1/s1.
What are the key properties of 6-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]hexanamide?
6-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]hexanamide has a molecular weight of 252.33 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]hexanamide is sourced from PubChem (CID 81366520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).