(2S)-2-amino-N-(2-fluoro-6-nitrophenyl)hexanamide

C12H16FN3O3 — CID 107146091

IUPAC(2S)-2-amino-N-(2-fluoro-6-nitrophenyl)hexanamide
SMILESCCCC[C@H](N)C(=O)Nc1c(F)cccc1[N+](=O)[O-]
InChIInChI=1S/C12H16FN3O3/c1-2-3-6-9(14)12(17)15-11-8(13)5-4-7-10(11)16(18)19/h4-5,7,9H,2-3,6,14H2,1H3,(H,15,17)/t9-/m0/s1
InChIKeyFZXWHMFRODSYBI-VIFPVBQESA-N
MW269.28 g/mol
LogP2.19
Rot. Bonds6

About (2S)-2-amino-N-(2-fluoro-6-nitrophenyl)hexanamide

(2S)-2-amino-N-(2-fluoro-6-nitrophenyl)hexanamide (PubChem CID 107146091) has the molecular formula C12H16FN3O3 and a molecular weight of 269.28 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-fluoro-6-nitrophenyl)hexanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-fluoro-6-nitrophenyl)hexanamide
PubChem CID107146091
Molecular FormulaC12H16FN3O3
Molecular Weight269.28 g/mol
Exact Mass269.12
IUPAC Name(2S)-2-amino-N-(2-fluoro-6-nitrophenyl)hexanamide
SMILESCCCC[C@H](N)C(=O)Nc1c(F)cccc1[N+](=O)[O-]
InChIInChI=1S/C12H16FN3O3/c1-2-3-6-9(14)12(17)15-11-8(13)5-4-7-10(11)16(18)19/h4-5,7,9H,2-3,6,14H2,1H3,(H,15,17)/t9-/m0/s1
InChIKeyFZXWHMFRODSYBI-VIFPVBQESA-N
XLogP2.19
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(2,6-difluorophenyl)hexanamide
CID 54928730
(2S)-2-amino-N-(2-fluoro-6-methylphenyl)hexanamide
CID 107146650
(2S,3S)-2-amino-N-(2-fluoro-6-nitrophenyl)-3-methylpentanamide
CID 81309749
(2S)-2-amino-N-(2-fluoro-6-nitrophenyl)-3-methylpentanamide
CID 81310807
4-amino-N-(2-fluoro-6-nitrophenyl)-2-methylbutanamide
CID 81310021
(2S)-2-amino-N-(2-fluoro-6-nitrophenyl)-3-methylbutanamide
CID 81310717
3-amino-N-(2-fluoro-6-nitrophenyl)-2-methylpropanamide
CID 81309744
(2S)-2-amino-N-(4-fluoro-2-nitrophenyl)hexanamide
CID 107143998
(2S)-2-amino-N-(2,6-diethylphenyl)hexanamide
CID 107143829
3-amino-N-(2-fluoro-6-nitrophenyl)-2-methoxypropanamide
CID 106113239
(2S)-2-amino-N-(2,4,6-trifluorophenyl)hexanamide
CID 107145817
2-amino-N-(4-ethyl-3-nitrophenyl)hexanamide
CID 60854572

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-fluoro-6-nitrophenyl)hexanamide?
The IUPAC name of (2S)-2-amino-N-(2-fluoro-6-nitrophenyl)hexanamide (CID 107146091) is (2S)-2-amino-N-(2-fluoro-6-nitrophenyl)hexanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-fluoro-6-nitrophenyl)hexanamide?
The canonical SMILES for (2S)-2-amino-N-(2-fluoro-6-nitrophenyl)hexanamide is CCCC[C@H](N)C(=O)Nc1c(F)cccc1[N+](=O)[O-].
What is the InChIKey of (2S)-2-amino-N-(2-fluoro-6-nitrophenyl)hexanamide?
The InChIKey is FZXWHMFRODSYBI-VIFPVBQESA-N. The full InChI is InChI=1S/C12H16FN3O3/c1-2-3-6-9(14)12(17)15-11-8(13)5-4-7-10(11)16(18)19/h4-5,7,9H,2-3,6,14H2,1H3,(H,15,17)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-fluoro-6-nitrophenyl)hexanamide?
(2S)-2-amino-N-(2-fluoro-6-nitrophenyl)hexanamide has a molecular weight of 269.28 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-fluoro-6-nitrophenyl)hexanamide is sourced from PubChem (CID 107146091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).