6-amino-N-(4-fluoro-2-nitrophenyl)-4,4-dimethylhexanamide

C14H20FN3O3 — CID 65290458

IUPAC6-amino-N-(4-fluoro-2-nitrophenyl)-4,4-dimethylhexanamide
SMILESCC(C)(CCN)CCC(=O)Nc1ccc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C14H20FN3O3/c1-14(2,7-8-16)6-5-13(19)17-11-4-3-10(15)9-12(11)18(20)21/h3-4,9H,5-8,16H2,1-2H3,(H,17,19)
InChIKeyFRFZFAUGSMXREV-UHFFFAOYSA-N
MW297.33 g/mol
LogP2.83
Rot. Bonds7

About 6-amino-N-(4-fluoro-2-nitrophenyl)-4,4-dimethylhexanamide

6-amino-N-(4-fluoro-2-nitrophenyl)-4,4-dimethylhexanamide (PubChem CID 65290458) has the molecular formula C14H20FN3O3 and a molecular weight of 297.33 g/mol. Its IUPAC name is 6-amino-N-(4-fluoro-2-nitrophenyl)-4,4-dimethylhexanamide.

Molecular Properties

Compound Name6-amino-N-(4-fluoro-2-nitrophenyl)-4,4-dimethylhexanamide
PubChem CID65290458
Molecular FormulaC14H20FN3O3
Molecular Weight297.33 g/mol
Exact Mass297.15
IUPAC Name6-amino-N-(4-fluoro-2-nitrophenyl)-4,4-dimethylhexanamide
SMILESCC(C)(CCN)CCC(=O)Nc1ccc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C14H20FN3O3/c1-14(2,7-8-16)6-5-13(19)17-11-4-3-10(15)9-12(11)18(20)21/h3-4,9H,5-8,16H2,1-2H3,(H,17,19)
InChIKeyFRFZFAUGSMXREV-UHFFFAOYSA-N
XLogP2.83
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 52.83
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

4-amino-N-(4-fluoro-2-nitrophenyl)-3-methylbutanamide
CID 81075417
6-amino-N-(2-chloro-5-nitrophenyl)-4,4-dimethylhexanamide
CID 65290513
3-chloro-N-(4-fluoro-2-nitrophenyl)-2,2-dimethylpropanamide
CID 63679959
(4-fluoro-2-nitrophenyl)urea
CID 69476086
6-amino-N-(3-fluoro-5-nitrophenyl)-4,4-dimethylhexanamide
CID 107335083
(2S)-2-amino-N-(4-fluoro-2-nitrophenyl)-3,3-dimethylbutanamide
CID 61179993
2-amino-N-(4-fluoro-2-nitrophenyl)-3,3-dimethylbutanamide
CID 76887834
2-(azetidin-3-yl)-N-(4-fluoro-2-nitrophenyl)acetamide
CID 64615986
[2-(4-fluoro-2-nitroanilino)-2-oxoethyl] 4-chlorobenzoate
CID 7483993
6-amino-N-(2,4-dibromophenyl)-4,4-dimethylhexanamide
CID 65290987
7-amino-N-(4-methyl-2-nitrophenyl)heptanamide
CID 43708379
N-(4-chloro-2-nitrophenyl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 108807032

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(4-fluoro-2-nitrophenyl)-4,4-dimethylhexanamide?
The IUPAC name of 6-amino-N-(4-fluoro-2-nitrophenyl)-4,4-dimethylhexanamide (CID 65290458) is 6-amino-N-(4-fluoro-2-nitrophenyl)-4,4-dimethylhexanamide.
What is the SMILES notation for 6-amino-N-(4-fluoro-2-nitrophenyl)-4,4-dimethylhexanamide?
The canonical SMILES for 6-amino-N-(4-fluoro-2-nitrophenyl)-4,4-dimethylhexanamide is CC(C)(CCN)CCC(=O)Nc1ccc(F)cc1[N+](=O)[O-].
What is the InChIKey of 6-amino-N-(4-fluoro-2-nitrophenyl)-4,4-dimethylhexanamide?
The InChIKey is FRFZFAUGSMXREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O3/c1-14(2,7-8-16)6-5-13(19)17-11-4-3-10(15)9-12(11)18(20)21/h3-4,9H,5-8,16H2,1-2H3,(H,17,19).
What are the key properties of 6-amino-N-(4-fluoro-2-nitrophenyl)-4,4-dimethylhexanamide?
6-amino-N-(4-fluoro-2-nitrophenyl)-4,4-dimethylhexanamide has a molecular weight of 297.33 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(4-fluoro-2-nitrophenyl)-4,4-dimethylhexanamide is sourced from PubChem (CID 65290458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).