N-(2-amino-5-fluorophenyl)-3,5,5-trimethylhexanamide

C15H23FN2O — CID 55169548

IUPACN-(2-amino-5-fluorophenyl)-3,5,5-trimethylhexanamide
SMILESCC(CC(=O)Nc1cc(F)ccc1N)CC(C)(C)C
InChIInChI=1S/C15H23FN2O/c1-10(9-15(2,3)4)7-14(19)18-13-8-11(16)5-6-12(13)17/h5-6,8,10H,7,9,17H2,1-4H3,(H,18,19)
InChIKeyLNZPEELWESRTTK-UHFFFAOYSA-N
MW266.36 g/mol
LogP3.81
Rot. Bonds4

About N-(2-amino-5-fluorophenyl)-3,5,5-trimethylhexanamide

N-(2-amino-5-fluorophenyl)-3,5,5-trimethylhexanamide (PubChem CID 55169548) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is N-(2-amino-5-fluorophenyl)-3,5,5-trimethylhexanamide.

Molecular Properties

Compound NameN-(2-amino-5-fluorophenyl)-3,5,5-trimethylhexanamide
PubChem CID55169548
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC NameN-(2-amino-5-fluorophenyl)-3,5,5-trimethylhexanamide
SMILESCC(CC(=O)Nc1cc(F)ccc1N)CC(C)(C)C
InChIInChI=1S/C15H23FN2O/c1-10(9-15(2,3)4)7-14(19)18-13-8-11(16)5-6-12(13)17/h5-6,8,10H,7,9,17H2,1-4H3,(H,18,19)
InChIKeyLNZPEELWESRTTK-UHFFFAOYSA-N
XLogP3.81
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(2-amino-5-fluorophenyl)acetamide;2-methylpropane
CID 142142758
2-amino-N-(2-amino-5-fluorophenyl)acetamide
CID 110477650
N-(2-amino-5-fluorophenyl)-2-methylpropanamide
CID 63257469
N-(3,4-difluoro-2-hydroxyphenyl)-3,5,5-trimethylhexanamide
CID 90956806
N-(4-amino-2-benzoylphenyl)-3,5,5-trimethylhexanamide
CID 11024594
1-(2-amino-5-fluoroanilino)-4,4-dimethylpentan-2-ol
CID 107150865
N-(2-amino-5-fluorophenyl)-2-[butan-2-yl(ethyl)amino]acetamide
CID 43611926
N-(2-amino-5-fluorophenyl)-2-butan-2-ylsulfinylacetamide
CID 61301862
N-(2-amino-5-fluorophenyl)-2-(2-propan-2-yloxyethoxy)acetamide
CID 43612006
4-amino-N-(4-fluoro-2-methylphenyl)-3-methylbutanamide
CID 81070633
4-bromo-3-(3,5,5-trimethylhexanoylamino)benzoic acid
CID 107812441
N-(2-amino-5-fluorophenyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide
CID 79384898

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-fluorophenyl)-3,5,5-trimethylhexanamide?
The IUPAC name of N-(2-amino-5-fluorophenyl)-3,5,5-trimethylhexanamide (CID 55169548) is N-(2-amino-5-fluorophenyl)-3,5,5-trimethylhexanamide.
What is the SMILES notation for N-(2-amino-5-fluorophenyl)-3,5,5-trimethylhexanamide?
The canonical SMILES for N-(2-amino-5-fluorophenyl)-3,5,5-trimethylhexanamide is CC(CC(=O)Nc1cc(F)ccc1N)CC(C)(C)C.
What is the InChIKey of N-(2-amino-5-fluorophenyl)-3,5,5-trimethylhexanamide?
The InChIKey is LNZPEELWESRTTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-10(9-15(2,3)4)7-14(19)18-13-8-11(16)5-6-12(13)17/h5-6,8,10H,7,9,17H2,1-4H3,(H,18,19).
What are the key properties of N-(2-amino-5-fluorophenyl)-3,5,5-trimethylhexanamide?
N-(2-amino-5-fluorophenyl)-3,5,5-trimethylhexanamide has a molecular weight of 266.36 g/mol, XLogP of 3.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-fluorophenyl)-3,5,5-trimethylhexanamide is sourced from PubChem (CID 55169548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).