2-(4-fluoro-2-methylanilino)-N-(3-methylbutyl)propanamide

C15H23FN2O — CID 43113611

IUPAC2-(4-fluoro-2-methylanilino)-N-(3-methylbutyl)propanamide
SMILESCc1cc(F)ccc1NC(C)C(=O)NCCC(C)C
InChIInChI=1S/C15H23FN2O/c1-10(2)7-8-17-15(19)12(4)18-14-6-5-13(16)9-11(14)3/h5-6,9-10,12,18H,7-8H2,1-4H3,(H,17,19)
InChIKeyBGHMVOWULSKJIN-UHFFFAOYSA-N
MW266.36 g/mol
LogP3.10
Rot. Bonds6

About 2-(4-fluoro-2-methylanilino)-N-(3-methylbutyl)propanamide

2-(4-fluoro-2-methylanilino)-N-(3-methylbutyl)propanamide (PubChem CID 43113611) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 2-(4-fluoro-2-methylanilino)-N-(3-methylbutyl)propanamide.

Molecular Properties

Compound Name2-(4-fluoro-2-methylanilino)-N-(3-methylbutyl)propanamide
PubChem CID43113611
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name2-(4-fluoro-2-methylanilino)-N-(3-methylbutyl)propanamide
SMILESCc1cc(F)ccc1NC(C)C(=O)NCCC(C)C
InChIInChI=1S/C15H23FN2O/c1-10(2)7-8-17-15(19)12(4)18-14-6-5-13(16)9-11(14)3/h5-6,9-10,12,18H,7-8H2,1-4H3,(H,17,19)
InChIKeyBGHMVOWULSKJIN-UHFFFAOYSA-N
XLogP3.10
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-fluoro-2-methylanilino)-N-(3-methylbutyl)propanamide
CID 43113491
2-(4-bromo-2-fluoroanilino)-N-(3-methylbutyl)propanamide
CID 43116655
2-(4-fluoro-2-methylanilino)-N-(methylcarbamoyl)propanamide
CID 43084052
2-(5-bromo-2-methylanilino)-N-(3-methylbutyl)propanamide
CID 43805994
2-(2-bromo-4-fluoroanilino)-N-ethylpropanamide
CID 43119470
N-(3-methylbutyl)-2-(2,3,5,6-tetrafluoroanilino)propanamide
CID 107644351
3-(4-fluoro-2-methylanilino)butanoic acid
CID 43536774
2-(2-amino-4-fluoroanilino)-N-ethylpropanamide
CID 61476098
2-(2-methoxy-5-methylanilino)-N-(3-methylbutyl)propanamide
CID 43113511
2-[2-(difluoromethoxy)anilino]-N-(3-methylbutyl)propanamide
CID 43244384
2-(2-bromo-4-fluoroanilino)-N-(3-methoxypropyl)propanamide
CID 43119467
3-(4-fluoro-2-methylanilino)butanamide
CID 115925836

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-methylanilino)-N-(3-methylbutyl)propanamide?
The IUPAC name of 2-(4-fluoro-2-methylanilino)-N-(3-methylbutyl)propanamide (CID 43113611) is 2-(4-fluoro-2-methylanilino)-N-(3-methylbutyl)propanamide.
What is the SMILES notation for 2-(4-fluoro-2-methylanilino)-N-(3-methylbutyl)propanamide?
The canonical SMILES for 2-(4-fluoro-2-methylanilino)-N-(3-methylbutyl)propanamide is Cc1cc(F)ccc1NC(C)C(=O)NCCC(C)C.
What is the InChIKey of 2-(4-fluoro-2-methylanilino)-N-(3-methylbutyl)propanamide?
The InChIKey is BGHMVOWULSKJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-10(2)7-8-17-15(19)12(4)18-14-6-5-13(16)9-11(14)3/h5-6,9-10,12,18H,7-8H2,1-4H3,(H,17,19).
What are the key properties of 2-(4-fluoro-2-methylanilino)-N-(3-methylbutyl)propanamide?
2-(4-fluoro-2-methylanilino)-N-(3-methylbutyl)propanamide has a molecular weight of 266.36 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-methylanilino)-N-(3-methylbutyl)propanamide is sourced from PubChem (CID 43113611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).