5-amino-N-[2-(3-fluorophenyl)ethyl]hexanamide

C14H21FN2O — CID 82849123

IUPAC5-amino-N-[2-(3-fluorophenyl)ethyl]hexanamide
SMILESCC(N)CCCC(=O)NCCc1cccc(F)c1
InChIInChI=1S/C14H21FN2O/c1-11(16)4-2-7-14(18)17-9-8-12-5-3-6-13(15)10-12/h3,5-6,10-11H,2,4,7-9,16H2,1H3,(H,17,18)
InChIKeyBCQYZKKXTOJYEY-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.00
Rot. Bonds7

About 5-amino-N-[2-(3-fluorophenyl)ethyl]hexanamide

5-amino-N-[2-(3-fluorophenyl)ethyl]hexanamide (PubChem CID 82849123) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 5-amino-N-[2-(3-fluorophenyl)ethyl]hexanamide.

Molecular Properties

Compound Name5-amino-N-[2-(3-fluorophenyl)ethyl]hexanamide
PubChem CID82849123
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name5-amino-N-[2-(3-fluorophenyl)ethyl]hexanamide
SMILESCC(N)CCCC(=O)NCCc1cccc(F)c1
InChIInChI=1S/C14H21FN2O/c1-11(16)4-2-7-14(18)17-9-8-12-5-3-6-13(15)10-12/h3,5-6,10-11H,2,4,7-9,16H2,1H3,(H,17,18)
InChIKeyBCQYZKKXTOJYEY-UHFFFAOYSA-N
XLogP2.00
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 ≤ 52.00
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
2-amino-N-[2-(3-fluorophenyl)ethyl]-3-methylbutanamide
CID 43566282
2-amino-N-[2-(3-fluorophenyl)ethyl]-4-methylpentanamide
CID 43566283
N-(3-aminobutyl)-4-(3-fluorophenyl)-3-methylbutanamide
CID 119499131
N-[3-(4-aminopentanoylamino)propyl]-3-fluorobenzamide
CID 120562623
(2R)-4-(3-fluorophenyl)butan-2-amine
CID 22831507
N-(3-aminopropyl)-4-(3-fluorophenyl)-2-methylbutanamide
CID 119405222
2-amino-N-[2-(3-fluorophenyl)ethyl]-3-methylpentanamide
CID 43566279
N-[2-(3-fluorophenyl)ethyl]-2-(methylamino)acetamide
CID 43566280
3-[2-(4-aminopentanoylamino)ethyl]-N,N-dimethylbenzamide;hydrochloride
CID 120563368
(2S)-2-amino-N-[2-(3-fluorophenyl)ethyl]butanamide;hydrochloride
CID 119273296
3-(3-bromophenyl)-N-[2-(3-fluorophenyl)ethyl]propanamide
CID 127122417

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-(3-fluorophenyl)ethyl]hexanamide?
The IUPAC name of 5-amino-N-[2-(3-fluorophenyl)ethyl]hexanamide (CID 82849123) is 5-amino-N-[2-(3-fluorophenyl)ethyl]hexanamide.
What is the SMILES notation for 5-amino-N-[2-(3-fluorophenyl)ethyl]hexanamide?
The canonical SMILES for 5-amino-N-[2-(3-fluorophenyl)ethyl]hexanamide is CC(N)CCCC(=O)NCCc1cccc(F)c1.
What is the InChIKey of 5-amino-N-[2-(3-fluorophenyl)ethyl]hexanamide?
The InChIKey is BCQYZKKXTOJYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-11(16)4-2-7-14(18)17-9-8-12-5-3-6-13(15)10-12/h3,5-6,10-11H,2,4,7-9,16H2,1H3,(H,17,18).
What are the key properties of 5-amino-N-[2-(3-fluorophenyl)ethyl]hexanamide?
5-amino-N-[2-(3-fluorophenyl)ethyl]hexanamide has a molecular weight of 252.33 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[2-(3-fluorophenyl)ethyl]hexanamide is sourced from PubChem (CID 82849123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).