2-ethyl-2-(3-fluoro-5-methylanilino)-3-methylbutanamide

C14H21FN2O — CID 79055465

IUPAC2-ethyl-2-(3-fluoro-5-methylanilino)-3-methylbutanamide
SMILESCCC(Nc1cc(C)cc(F)c1)(C(N)=O)C(C)C
InChIInChI=1S/C14H21FN2O/c1-5-14(9(2)3,13(16)18)17-12-7-10(4)6-11(15)8-12/h6-9,17H,5H2,1-4H3,(H2,16,18)
InChIKeyUZWJLJOWAQRKBZ-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.84
Rot. Bonds5

About 2-ethyl-2-(3-fluoro-5-methylanilino)-3-methylbutanamide

2-ethyl-2-(3-fluoro-5-methylanilino)-3-methylbutanamide (PubChem CID 79055465) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 2-ethyl-2-(3-fluoro-5-methylanilino)-3-methylbutanamide.

Molecular Properties

Compound Name2-ethyl-2-(3-fluoro-5-methylanilino)-3-methylbutanamide
PubChem CID79055465
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name2-ethyl-2-(3-fluoro-5-methylanilino)-3-methylbutanamide
SMILESCCC(Nc1cc(C)cc(F)c1)(C(N)=O)C(C)C
InChIInChI=1S/C14H21FN2O/c1-5-14(9(2)3,13(16)18)17-12-7-10(4)6-11(15)8-12/h6-9,17H,5H2,1-4H3,(H2,16,18)
InChIKeyUZWJLJOWAQRKBZ-UHFFFAOYSA-N
XLogP2.84
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-fluoro-5-methylanilino)-2-methylnonanamide
CID 79044705
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-ethyl-2-(3-fluoro-5-methylanilino)hexanoic acid
CID 79050285
tert-butyl 2-(3-fluoro-5-methylanilino)propanoate
CID 79054844
methyl 2-(3-fluoro-5-methylanilino)-2-propylpentanoate
CID 79049647
(2R)-2-amino-N-(3-fluoro-5-methylphenyl)propanamide
CID 79050426
(2S)-2-amino-N-(3-fluoro-5-methylphenyl)propanamide
CID 79049472
ethyl 2-(3-fluoro-5-methylanilino)-4-methoxy-4-methylpentanoate
CID 106676058
N-(3-fluoro-5-methylphenyl)propanamide
CID 79047082
methyl 2-(3-fluoro-5-methylanilino)-4,4-dimethylpentanoate
CID 79049650
ethyl 2-(3-fluoro-5-methylanilino)-3-methylhexanoate
CID 79050057

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(3-fluoro-5-methylanilino)-3-methylbutanamide?
The IUPAC name of 2-ethyl-2-(3-fluoro-5-methylanilino)-3-methylbutanamide (CID 79055465) is 2-ethyl-2-(3-fluoro-5-methylanilino)-3-methylbutanamide.
What is the SMILES notation for 2-ethyl-2-(3-fluoro-5-methylanilino)-3-methylbutanamide?
The canonical SMILES for 2-ethyl-2-(3-fluoro-5-methylanilino)-3-methylbutanamide is CCC(Nc1cc(C)cc(F)c1)(C(N)=O)C(C)C.
What is the InChIKey of 2-ethyl-2-(3-fluoro-5-methylanilino)-3-methylbutanamide?
The InChIKey is UZWJLJOWAQRKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-5-14(9(2)3,13(16)18)17-12-7-10(4)6-11(15)8-12/h6-9,17H,5H2,1-4H3,(H2,16,18).
What are the key properties of 2-ethyl-2-(3-fluoro-5-methylanilino)-3-methylbutanamide?
2-ethyl-2-(3-fluoro-5-methylanilino)-3-methylbutanamide has a molecular weight of 252.33 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(3-fluoro-5-methylanilino)-3-methylbutanamide is sourced from PubChem (CID 79055465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).