6-amino-N-(3-fluoro-5-nitrophenyl)-4,4-dimethylhexanamide

C14H20FN3O3 — CID 107335083

IUPAC6-amino-N-(3-fluoro-5-nitrophenyl)-4,4-dimethylhexanamide
SMILESCC(C)(CCN)CCC(=O)Nc1cc(F)cc([N+](=O)[O-])c1
InChIInChI=1S/C14H20FN3O3/c1-14(2,5-6-16)4-3-13(19)17-11-7-10(15)8-12(9-11)18(20)21/h7-9H,3-6,16H2,1-2H3,(H,17,19)
InChIKeyBDRPRRTWYNLUAZ-UHFFFAOYSA-N
MW297.33 g/mol
LogP2.83
Rot. Bonds7

About 6-amino-N-(3-fluoro-5-nitrophenyl)-4,4-dimethylhexanamide

6-amino-N-(3-fluoro-5-nitrophenyl)-4,4-dimethylhexanamide (PubChem CID 107335083) has the molecular formula C14H20FN3O3 and a molecular weight of 297.33 g/mol. Its IUPAC name is 6-amino-N-(3-fluoro-5-nitrophenyl)-4,4-dimethylhexanamide.

Molecular Properties

Compound Name6-amino-N-(3-fluoro-5-nitrophenyl)-4,4-dimethylhexanamide
PubChem CID107335083
Molecular FormulaC14H20FN3O3
Molecular Weight297.33 g/mol
Exact Mass297.15
IUPAC Name6-amino-N-(3-fluoro-5-nitrophenyl)-4,4-dimethylhexanamide
SMILESCC(C)(CCN)CCC(=O)Nc1cc(F)cc([N+](=O)[O-])c1
InChIInChI=1S/C14H20FN3O3/c1-14(2,5-6-16)4-3-13(19)17-11-7-10(15)8-12(9-11)18(20)21/h7-9H,3-6,16H2,1-2H3,(H,17,19)
InChIKeyBDRPRRTWYNLUAZ-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

N-(3-fluoro-5-nitrophenyl)propanamide
CID 107335364
6-amino-N-(2-chloro-5-nitrophenyl)-4,4-dimethylhexanamide
CID 65290513
4-amino-N-(3-fluoro-5-nitrophenyl)-3-methoxybutanamide
CID 107334980
6-amino-N-(4-fluoro-2-nitrophenyl)-4,4-dimethylhexanamide
CID 65290458
N-(3-fluoro-5-nitrophenyl)-2-methoxy-2-methylpropanamide
CID 107335345
N-(3-fluoro-5-nitrophenyl)-2-methylpropanamide
CID 107335340
(2S)-2-amino-N-(3-fluoro-5-nitrophenyl)-4-methylpentanamide
CID 107335024
N-(3-fluoro-5-nitrophenyl)-3-piperidin-2-ylpropanamide
CID 107335001
2-(3-fluoro-5-nitroanilino)-2-methylbutanoic acid
CID 79798618
4-amino-N-(3,5-difluorophenyl)butanamide
CID 24703565
6-amino-4,4-dimethyl-N-(4-methylsulfonylphenyl)hexanamide
CID 65293355
2-(3-fluoro-5-nitroanilino)ethyl carbamate
CID 83204045

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(3-fluoro-5-nitrophenyl)-4,4-dimethylhexanamide?
The IUPAC name of 6-amino-N-(3-fluoro-5-nitrophenyl)-4,4-dimethylhexanamide (CID 107335083) is 6-amino-N-(3-fluoro-5-nitrophenyl)-4,4-dimethylhexanamide.
What is the SMILES notation for 6-amino-N-(3-fluoro-5-nitrophenyl)-4,4-dimethylhexanamide?
The canonical SMILES for 6-amino-N-(3-fluoro-5-nitrophenyl)-4,4-dimethylhexanamide is CC(C)(CCN)CCC(=O)Nc1cc(F)cc([N+](=O)[O-])c1.
What is the InChIKey of 6-amino-N-(3-fluoro-5-nitrophenyl)-4,4-dimethylhexanamide?
The InChIKey is BDRPRRTWYNLUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O3/c1-14(2,5-6-16)4-3-13(19)17-11-7-10(15)8-12(9-11)18(20)21/h7-9H,3-6,16H2,1-2H3,(H,17,19).
What are the key properties of 6-amino-N-(3-fluoro-5-nitrophenyl)-4,4-dimethylhexanamide?
6-amino-N-(3-fluoro-5-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-(3-fluoro-5-nitrophenyl)-4,4-dimethylhexanamide is sourced from PubChem (CID 107335083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).