2-fluoro-3-methyl-N-octan-2-ylbenzamide

C16H24FNO — CID 81480572

IUPAC2-fluoro-3-methyl-N-octan-2-ylbenzamide
SMILESCCCCCCC(C)NC(=O)c1cccc(C)c1F
InChIInChI=1S/C16H24FNO/c1-4-5-6-7-10-13(3)18-16(19)14-11-8-9-12(2)15(14)17/h8-9,11,13H,4-7,10H2,1-3H3,(H,18,19)
InChIKeyUSPKMMSERKAVIJ-UHFFFAOYSA-N
MW265.37 g/mol
LogP4.22
Rot. Bonds7

About 2-fluoro-3-methyl-N-octan-2-ylbenzamide

2-fluoro-3-methyl-N-octan-2-ylbenzamide (PubChem CID 81480572) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is 2-fluoro-3-methyl-N-octan-2-ylbenzamide.

Molecular Properties

Compound Name2-fluoro-3-methyl-N-octan-2-ylbenzamide
PubChem CID81480572
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC Name2-fluoro-3-methyl-N-octan-2-ylbenzamide
SMILESCCCCCCC(C)NC(=O)c1cccc(C)c1F
InChIInChI=1S/C16H24FNO/c1-4-5-6-7-10-13(3)18-16(19)14-11-8-9-12(2)15(14)17/h8-9,11,13H,4-7,10H2,1-3H3,(H,18,19)
InChIKeyUSPKMMSERKAVIJ-UHFFFAOYSA-N
XLogP4.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,3-difluoro-N-hexan-2-ylbenzamide
CID 55099872
N-(4-bromobutan-2-yl)-2-fluoro-3-methylbenzamide
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2-(ethylamino)-3-fluoro-N-heptan-2-ylbenzamide
CID 62662293
N-[1-(dimethylamino)propan-2-yl]-2-fluoro-3-methylbenzamide
CID 82946104
ethyl 2-[(2-fluoro-3-methylbenzoyl)amino]propanoate
CID 80717900
N-decyl-2-fluoro-3-methylbenzamide
CID 81479719
N-heptadecan-9-yl-2-methylbenzamide
CID 3929540
8-methyl-N-octan-2-yl-4-oxo-1H-quinoline-3-carboxamide
CID 166326762
4-hydroxy-2-methyl-N-octan-2-ylbenzamide
CID 103865158
2,3-dimethyl-N-pentan-2-ylbenzamide
CID 71253299
N-heptan-2-yl-2-hydroxy-3-methoxybenzamide
CID 60653869
2-fluoro-N-hex-1-yn-3-yl-3-methylbenzamide
CID 103528693

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methyl-N-octan-2-ylbenzamide?
The IUPAC name of 2-fluoro-3-methyl-N-octan-2-ylbenzamide (CID 81480572) is 2-fluoro-3-methyl-N-octan-2-ylbenzamide.
What is the SMILES notation for 2-fluoro-3-methyl-N-octan-2-ylbenzamide?
The canonical SMILES for 2-fluoro-3-methyl-N-octan-2-ylbenzamide is CCCCCCC(C)NC(=O)c1cccc(C)c1F.
What is the InChIKey of 2-fluoro-3-methyl-N-octan-2-ylbenzamide?
The InChIKey is USPKMMSERKAVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-4-5-6-7-10-13(3)18-16(19)14-11-8-9-12(2)15(14)17/h8-9,11,13H,4-7,10H2,1-3H3,(H,18,19).
What are the key properties of 2-fluoro-3-methyl-N-octan-2-ylbenzamide?
2-fluoro-3-methyl-N-octan-2-ylbenzamide has a molecular weight of 265.37 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methyl-N-octan-2-ylbenzamide is sourced from PubChem (CID 81480572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).