2-(3-fluoro-5-methylanilino)-2-methylnonanamide

C17H27FN2O — CID 79044705

IUPAC2-(3-fluoro-5-methylanilino)-2-methylnonanamide
SMILESCCCCCCCC(C)(Nc1cc(C)cc(F)c1)C(N)=O
InChIInChI=1S/C17H27FN2O/c1-4-5-6-7-8-9-17(3,16(19)21)20-15-11-13(2)10-14(18)12-15/h10-12,20H,4-9H2,1-3H3,(H2,19,21)
InChIKeySRICFFFCLOGNCW-UHFFFAOYSA-N
MW294.41 g/mol
LogP4.15
Rot. Bonds9

About 2-(3-fluoro-5-methylanilino)-2-methylnonanamide

2-(3-fluoro-5-methylanilino)-2-methylnonanamide (PubChem CID 79044705) has the molecular formula C17H27FN2O and a molecular weight of 294.41 g/mol. Its IUPAC name is 2-(3-fluoro-5-methylanilino)-2-methylnonanamide.

Molecular Properties

Compound Name2-(3-fluoro-5-methylanilino)-2-methylnonanamide
PubChem CID79044705
Molecular FormulaC17H27FN2O
Molecular Weight294.41 g/mol
Exact Mass294.21
IUPAC Name2-(3-fluoro-5-methylanilino)-2-methylnonanamide
SMILESCCCCCCCC(C)(Nc1cc(C)cc(F)c1)C(N)=O
InChIInChI=1S/C17H27FN2O/c1-4-5-6-7-8-9-17(3,16(19)21)20-15-11-13(2)10-14(18)12-15/h10-12,20H,4-9H2,1-3H3,(H2,19,21)
InChIKeySRICFFFCLOGNCW-UHFFFAOYSA-N
XLogP4.15
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.41
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6,6,6-trifluoro-2-(3-fluoro-5-methylanilino)-2-methylhexanamide
CID 116535507
3-cyclopropyl-2-(3-fluoro-5-methylanilino)-2-methylpropanamide
CID 113490089
2-(3-methoxyanilino)-2-methyloctanamide
CID 61005310
2-ethyl-2-(3-fluoro-5-methylanilino)hexanoic acid
CID 79050285
2-methyl-2-(3-methylanilino)nonanoic acid
CID 60994073
2-ethyl-2-(3-fluoro-5-methylanilino)-3-methylbutanamide
CID 79055465
methyl 2-methyl-2-(3-methylanilino)octanoate
CID 63524625
methyl 2-(3-fluoro-5-methylanilino)-2-propylpentanoate
CID 79049647
2-methyl-2-(methylamino)heptanamide
CID 80557436
2-(4-bromoanilino)-2-methylnonanoic acid
CID 60993267
methyl 2-anilino-2-methyloctanoate
CID 54890030
methyl 2-(2-fluoroanilino)-2-methylnonanoate
CID 63525929

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-5-methylanilino)-2-methylnonanamide?
The IUPAC name of 2-(3-fluoro-5-methylanilino)-2-methylnonanamide (CID 79044705) is 2-(3-fluoro-5-methylanilino)-2-methylnonanamide.
What is the SMILES notation for 2-(3-fluoro-5-methylanilino)-2-methylnonanamide?
The canonical SMILES for 2-(3-fluoro-5-methylanilino)-2-methylnonanamide is CCCCCCCC(C)(Nc1cc(C)cc(F)c1)C(N)=O.
What is the InChIKey of 2-(3-fluoro-5-methylanilino)-2-methylnonanamide?
The InChIKey is SRICFFFCLOGNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2O/c1-4-5-6-7-8-9-17(3,16(19)21)20-15-11-13(2)10-14(18)12-15/h10-12,20H,4-9H2,1-3H3,(H2,19,21).
What are the key properties of 2-(3-fluoro-5-methylanilino)-2-methylnonanamide?
2-(3-fluoro-5-methylanilino)-2-methylnonanamide has a molecular weight of 294.41 g/mol, XLogP of 4.15, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-5-methylanilino)-2-methylnonanamide is sourced from PubChem (CID 79044705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).