N-(2-methylpropyl)-2-(2,4,5-trifluoroanilino)propanamide

C13H17F3N2O — CID 55118207

IUPACN-(2-methylpropyl)-2-(2,4,5-trifluoroanilino)propanamide
SMILESCC(C)CNC(=O)C(C)Nc1cc(F)c(F)cc1F
InChIInChI=1S/C13H17F3N2O/c1-7(2)6-17-13(19)8(3)18-12-5-10(15)9(14)4-11(12)16/h4-5,7-8,18H,6H2,1-3H3,(H,17,19)
InChIKeyRGQLPTAEIFQMGY-UHFFFAOYSA-N
MW274.29 g/mol
LogP2.68
Rot. Bonds5

About N-(2-methylpropyl)-2-(2,4,5-trifluoroanilino)propanamide

N-(2-methylpropyl)-2-(2,4,5-trifluoroanilino)propanamide (PubChem CID 55118207) has the molecular formula C13H17F3N2O and a molecular weight of 274.29 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-(2,4,5-trifluoroanilino)propanamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-(2,4,5-trifluoroanilino)propanamide
PubChem CID55118207
Molecular FormulaC13H17F3N2O
Molecular Weight274.29 g/mol
Exact Mass274.13
IUPAC NameN-(2-methylpropyl)-2-(2,4,5-trifluoroanilino)propanamide
SMILESCC(C)CNC(=O)C(C)Nc1cc(F)c(F)cc1F
InChIInChI=1S/C13H17F3N2O/c1-7(2)6-17-13(19)8(3)18-12-5-10(15)9(14)4-11(12)16/h4-5,7-8,18H,6H2,1-3H3,(H,17,19)
InChIKeyRGQLPTAEIFQMGY-UHFFFAOYSA-N
XLogP2.68
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(2-methylpropyl)-2-(2,3,5,6-tetrafluoroanilino)propanamide
CID 107644485
N-carbamoyl-2-(2,4,5-trifluoroanilino)propanamide
CID 55118208
2-(2,6-difluoroanilino)-N-(2-methylpropyl)propanamide
CID 43088760
N-(2-methylpropyl)-2-[2-(trifluoromethyl)anilino]propanamide
CID 43088640
2-(4-chloro-2-iodoanilino)-N-(2-methylpropyl)propanamide
CID 107635388
2-(2-bromo-4,6-difluoroanilino)-N-(2-methylpropyl)propanamide
CID 43347738
N-(2-methylpropyl)-2-(2-propan-2-ylanilino)propanamide
CID 43088669
2-(5-bromo-2,4-difluoroanilino)-N-pentylpropanamide
CID 102853314
2-(4-bromo-2-fluoroanilino)-N-(3-methylbutyl)propanamide
CID 43116655
1-pyrrolidin-1-yl-2-(2,4,5-trifluoroanilino)propan-1-one
CID 62815898
3-amino-2-methyl-N-(2,4,5-trifluorophenyl)propanamide
CID 62815213
(2S)-2-(4-methylanilino)-N-(2-methylpropyl)propanamide
CID 28841175

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-(2,4,5-trifluoroanilino)propanamide?
The IUPAC name of N-(2-methylpropyl)-2-(2,4,5-trifluoroanilino)propanamide (CID 55118207) is N-(2-methylpropyl)-2-(2,4,5-trifluoroanilino)propanamide.
What is the SMILES notation for N-(2-methylpropyl)-2-(2,4,5-trifluoroanilino)propanamide?
The canonical SMILES for N-(2-methylpropyl)-2-(2,4,5-trifluoroanilino)propanamide is CC(C)CNC(=O)C(C)Nc1cc(F)c(F)cc1F.
What is the InChIKey of N-(2-methylpropyl)-2-(2,4,5-trifluoroanilino)propanamide?
The InChIKey is RGQLPTAEIFQMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O/c1-7(2)6-17-13(19)8(3)18-12-5-10(15)9(14)4-11(12)16/h4-5,7-8,18H,6H2,1-3H3,(H,17,19).
What are the key properties of N-(2-methylpropyl)-2-(2,4,5-trifluoroanilino)propanamide?
N-(2-methylpropyl)-2-(2,4,5-trifluoroanilino)propanamide has a molecular weight of 274.29 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-(2,4,5-trifluoroanilino)propanamide is sourced from PubChem (CID 55118207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).