N-propan-2-yl-3-(2,4,5-trifluoroanilino)propanamide

C12H15F3N2O — CID 62814354

IUPACN-propan-2-yl-3-(2,4,5-trifluoroanilino)propanamide
SMILESCC(C)NC(=O)CCNc1cc(F)c(F)cc1F
InChIInChI=1S/C12H15F3N2O/c1-7(2)17-12(18)3-4-16-11-6-9(14)8(13)5-10(11)15/h5-7,16H,3-4H2,1-2H3,(H,17,18)
InChIKeyCHFFDADTIKYRKA-UHFFFAOYSA-N
MW260.26 g/mol
LogP2.43
Rot. Bonds5

About N-propan-2-yl-3-(2,4,5-trifluoroanilino)propanamide

N-propan-2-yl-3-(2,4,5-trifluoroanilino)propanamide (PubChem CID 62814354) has the molecular formula C12H15F3N2O and a molecular weight of 260.26 g/mol. Its IUPAC name is N-propan-2-yl-3-(2,4,5-trifluoroanilino)propanamide.

Molecular Properties

Compound NameN-propan-2-yl-3-(2,4,5-trifluoroanilino)propanamide
PubChem CID62814354
Molecular FormulaC12H15F3N2O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC NameN-propan-2-yl-3-(2,4,5-trifluoroanilino)propanamide
SMILESCC(C)NC(=O)CCNc1cc(F)c(F)cc1F
InChIInChI=1S/C12H15F3N2O/c1-7(2)17-12(18)3-4-16-11-6-9(14)8(13)5-10(11)15/h5-7,16H,3-4H2,1-2H3,(H,17,18)
InChIKeyCHFFDADTIKYRKA-UHFFFAOYSA-N
XLogP2.43
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-propan-2-yl-3-(2,4,5-trifluoroanilino)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-fluoro-4-methylanilino)-N-propan-2-ylpropanamide
CID 62623781
3-(2-amino-3,5-difluoroanilino)-N-propan-2-ylpropanamide
CID 113409518
3-(3-fluoro-2-methylanilino)-N-propan-2-ylpropanamide
CID 62623240
3-(2-chloro-4-fluoroanilino)-N-propan-2-ylpropanamide
CID 62623790
3-(2-bromo-4-fluoroanilino)-N-propan-2-ylpropanamide
CID 62623782
3-[2-methyl-5-(trifluoromethyl)anilino]-N-propan-2-ylpropanamide
CID 66481346
3-(4-methylanilino)-N-propan-2-ylpropanamide
CID 60644223
3-(3-fluoro-5-methoxyanilino)-N-propan-2-ylpropanamide
CID 114262949
5-(2,4,5-trifluoroanilino)pentanoic acid
CID 62815917
3-[(3,4-difluorophenyl)sulfonylamino]-N-propan-2-ylpropanamide
CID 24539448
3-(3-bromo-4-methylanilino)-N-propan-2-ylpropanamide
CID 63333816
3-(2-amino-5-fluoro-4-iodoanilino)-N-butan-2-ylpropanamide
CID 66102068

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-3-(2,4,5-trifluoroanilino)propanamide?
The IUPAC name of N-propan-2-yl-3-(2,4,5-trifluoroanilino)propanamide (CID 62814354) is N-propan-2-yl-3-(2,4,5-trifluoroanilino)propanamide.
What is the SMILES notation for N-propan-2-yl-3-(2,4,5-trifluoroanilino)propanamide?
The canonical SMILES for N-propan-2-yl-3-(2,4,5-trifluoroanilino)propanamide is CC(C)NC(=O)CCNc1cc(F)c(F)cc1F.
What is the InChIKey of N-propan-2-yl-3-(2,4,5-trifluoroanilino)propanamide?
The InChIKey is CHFFDADTIKYRKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O/c1-7(2)17-12(18)3-4-16-11-6-9(14)8(13)5-10(11)15/h5-7,16H,3-4H2,1-2H3,(H,17,18).
What are the key properties of N-propan-2-yl-3-(2,4,5-trifluoroanilino)propanamide?
N-propan-2-yl-3-(2,4,5-trifluoroanilino)propanamide has a molecular weight of 260.26 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-3-(2,4,5-trifluoroanilino)propanamide is sourced from PubChem (CID 62814354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).