2-(2-fluoro-5-methylanilino)-N-(2-methylbutan-2-yl)propanamide

C15H23FN2O — CID 43122827

IUPAC2-(2-fluoro-5-methylanilino)-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)C(C)Nc1cc(C)ccc1F
InChIInChI=1S/C15H23FN2O/c1-6-15(4,5)18-14(19)11(3)17-13-9-10(2)7-8-12(13)16/h7-9,11,17H,6H2,1-5H3,(H,18,19)
InChIKeyBGOXPXWROXCDQX-UHFFFAOYSA-N
MW266.36 g/mol
LogP3.24
Rot. Bonds5

About 2-(2-fluoro-5-methylanilino)-N-(2-methylbutan-2-yl)propanamide

2-(2-fluoro-5-methylanilino)-N-(2-methylbutan-2-yl)propanamide (PubChem CID 43122827) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 2-(2-fluoro-5-methylanilino)-N-(2-methylbutan-2-yl)propanamide.

Molecular Properties

Compound Name2-(2-fluoro-5-methylanilino)-N-(2-methylbutan-2-yl)propanamide
PubChem CID43122827
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name2-(2-fluoro-5-methylanilino)-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)C(C)Nc1cc(C)ccc1F
InChIInChI=1S/C15H23FN2O/c1-6-15(4,5)18-14(19)11(3)17-13-9-10(2)7-8-12(13)16/h7-9,11,17H,6H2,1-5H3,(H,18,19)
InChIKeyBGOXPXWROXCDQX-UHFFFAOYSA-N
XLogP3.24
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-5-methylanilino)-N-(2-methylbutan-2-yl)propanamide
CID 107634715
2-(2,4-dibromoanilino)-N-(2-methylbutan-2-yl)propanamide
CID 61473722
2-(2-fluoro-5-methylanilino)-N-(3-methoxypropyl)propanamide
CID 43122831
2-(3,4-dimethylanilino)-N-(2-methylbutan-2-yl)propanamide
CID 43112841
2-(3-chloro-2-methylanilino)-N-(2-methylbutan-2-yl)propanamide
CID 43113422
2-(2-fluoro-5-methylanilino)-N-(furan-2-ylmethyl)propanamide
CID 43088873
2-(2-bromo-6-fluoroanilino)-N-(2-methylbutan-2-yl)propanamide
CID 107599421
(2R)-N-(2,5-difluorophenyl)-2-(2,5-dimethylanilino)propanamide
CID 40954484
2-ethyl-N-(2-fluoro-5-methylphenyl)butanamide
CID 52892789
2-[4-(dimethylamino)anilino]-N-(2-methylbutan-2-yl)propanamide
CID 43617105
4-[[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]amino]benzamide
CID 43112980
N-cyclopropyl-2-(2-fluoro-4-methylanilino)propanamide
CID 43088822

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-5-methylanilino)-N-(2-methylbutan-2-yl)propanamide?
The IUPAC name of 2-(2-fluoro-5-methylanilino)-N-(2-methylbutan-2-yl)propanamide (CID 43122827) is 2-(2-fluoro-5-methylanilino)-N-(2-methylbutan-2-yl)propanamide.
What is the SMILES notation for 2-(2-fluoro-5-methylanilino)-N-(2-methylbutan-2-yl)propanamide?
The canonical SMILES for 2-(2-fluoro-5-methylanilino)-N-(2-methylbutan-2-yl)propanamide is CCC(C)(C)NC(=O)C(C)Nc1cc(C)ccc1F.
What is the InChIKey of 2-(2-fluoro-5-methylanilino)-N-(2-methylbutan-2-yl)propanamide?
The InChIKey is BGOXPXWROXCDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-6-15(4,5)18-14(19)11(3)17-13-9-10(2)7-8-12(13)16/h7-9,11,17H,6H2,1-5H3,(H,18,19).
What are the key properties of 2-(2-fluoro-5-methylanilino)-N-(2-methylbutan-2-yl)propanamide?
2-(2-fluoro-5-methylanilino)-N-(2-methylbutan-2-yl)propanamide has a molecular weight of 266.36 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-5-methylanilino)-N-(2-methylbutan-2-yl)propanamide is sourced from PubChem (CID 43122827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).