6-amino-N-[1-(4-fluorophenyl)ethyl]-2-methylheptanamide

C16H25FN2O — CID 65292258

IUPAC6-amino-N-[1-(4-fluorophenyl)ethyl]-2-methylheptanamide
SMILESCC(N)CCCC(C)C(=O)NC(C)c1ccc(F)cc1
InChIInChI=1S/C16H25FN2O/c1-11(5-4-6-12(2)18)16(20)19-13(3)14-7-9-15(17)10-8-14/h7-13H,4-6,18H2,1-3H3,(H,19,20)
InChIKeyBBKJOGDXKNYXTQ-UHFFFAOYSA-N
MW280.39 g/mol
LogP3.16
Rot. Bonds7

About 6-amino-N-[1-(4-fluorophenyl)ethyl]-2-methylheptanamide

6-amino-N-[1-(4-fluorophenyl)ethyl]-2-methylheptanamide (PubChem CID 65292258) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is 6-amino-N-[1-(4-fluorophenyl)ethyl]-2-methylheptanamide.

Molecular Properties

Compound Name6-amino-N-[1-(4-fluorophenyl)ethyl]-2-methylheptanamide
PubChem CID65292258
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name6-amino-N-[1-(4-fluorophenyl)ethyl]-2-methylheptanamide
SMILESCC(N)CCCC(C)C(=O)NC(C)c1ccc(F)cc1
InChIInChI=1S/C16H25FN2O/c1-11(5-4-6-12(2)18)16(20)19-13(3)14-7-9-15(17)10-8-14/h7-13H,4-6,18H2,1-3H3,(H,19,20)
InChIKeyBBKJOGDXKNYXTQ-UHFFFAOYSA-N
XLogP3.16
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-methylheptanamide
CID 81358955
2-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
CID 81349591
(2R)-2-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]butanamide
CID 81349306
2-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-methylpentanamide
CID 81348779
2-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]-5-methoxypentanamide
CID 81349504
2-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-methoxybutanamide
CID 81350017
2-amino-N-[1-(4-fluorophenyl)ethyl]-4-methylsulfonylbutanamide
CID 61249769
5-amino-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-methylpentanamide
CID 104684157
2-bromo-N-[(1R)-1-(4-fluorophenyl)ethyl]butanamide
CID 81348111
2-bromo-N-[(1S)-1-(4-fluorophenyl)ethyl]butanamide
CID 81347208
11-[[(1S)-1-(4-aminophenyl)ethyl]amino]-10-methyl-11-oxoundecanoic acid
CID 175510550
(2S)-2-methyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]hexanamide
CID 124846028

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[1-(4-fluorophenyl)ethyl]-2-methylheptanamide?
The IUPAC name of 6-amino-N-[1-(4-fluorophenyl)ethyl]-2-methylheptanamide (CID 65292258) is 6-amino-N-[1-(4-fluorophenyl)ethyl]-2-methylheptanamide.
What is the SMILES notation for 6-amino-N-[1-(4-fluorophenyl)ethyl]-2-methylheptanamide?
The canonical SMILES for 6-amino-N-[1-(4-fluorophenyl)ethyl]-2-methylheptanamide is CC(N)CCCC(C)C(=O)NC(C)c1ccc(F)cc1.
What is the InChIKey of 6-amino-N-[1-(4-fluorophenyl)ethyl]-2-methylheptanamide?
The InChIKey is BBKJOGDXKNYXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-11(5-4-6-12(2)18)16(20)19-13(3)14-7-9-15(17)10-8-14/h7-13H,4-6,18H2,1-3H3,(H,19,20).
What are the key properties of 6-amino-N-[1-(4-fluorophenyl)ethyl]-2-methylheptanamide?
6-amino-N-[1-(4-fluorophenyl)ethyl]-2-methylheptanamide has a molecular weight of 280.39 g/mol, XLogP of 3.16, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[1-(4-fluorophenyl)ethyl]-2-methylheptanamide is sourced from PubChem (CID 65292258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).