N,N-dimethyl-3-[(2,4,5-trifluorophenyl)methylamino]propanamide

C12H15F3N2O — CID 103792850

IUPACN,N-dimethyl-3-[(2,4,5-trifluorophenyl)methylamino]propanamide
SMILESCN(C)C(=O)CCNCc1cc(F)c(F)cc1F
InChIInChI=1S/C12H15F3N2O/c1-17(2)12(18)3-4-16-7-8-5-10(14)11(15)6-9(8)13/h5-6,16H,3-4,7H2,1-2H3
InChIKeyRHBRCBAYNFOXEA-UHFFFAOYSA-N
MW260.26 g/mol
LogP1.67
Rot. Bonds5

About N,N-dimethyl-3-[(2,4,5-trifluorophenyl)methylamino]propanamide

N,N-dimethyl-3-[(2,4,5-trifluorophenyl)methylamino]propanamide (PubChem CID 103792850) has the molecular formula C12H15F3N2O and a molecular weight of 260.26 g/mol. Its IUPAC name is N,N-dimethyl-3-[(2,4,5-trifluorophenyl)methylamino]propanamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[(2,4,5-trifluorophenyl)methylamino]propanamide
PubChem CID103792850
Molecular FormulaC12H15F3N2O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC NameN,N-dimethyl-3-[(2,4,5-trifluorophenyl)methylamino]propanamide
SMILESCN(C)C(=O)CCNCc1cc(F)c(F)cc1F
InChIInChI=1S/C12H15F3N2O/c1-17(2)12(18)3-4-16-7-8-5-10(14)11(15)6-9(8)13/h5-6,16H,3-4,7H2,1-2H3
InChIKeyRHBRCBAYNFOXEA-UHFFFAOYSA-N
XLogP1.67
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[(2,4,5-trifluorophenyl)methylamino]propanamide?
The IUPAC name of N,N-dimethyl-3-[(2,4,5-trifluorophenyl)methylamino]propanamide (CID 103792850) is N,N-dimethyl-3-[(2,4,5-trifluorophenyl)methylamino]propanamide.
What is the SMILES notation for N,N-dimethyl-3-[(2,4,5-trifluorophenyl)methylamino]propanamide?
The canonical SMILES for N,N-dimethyl-3-[(2,4,5-trifluorophenyl)methylamino]propanamide is CN(C)C(=O)CCNCc1cc(F)c(F)cc1F.
What is the InChIKey of N,N-dimethyl-3-[(2,4,5-trifluorophenyl)methylamino]propanamide?
The InChIKey is RHBRCBAYNFOXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O/c1-17(2)12(18)3-4-16-7-8-5-10(14)11(15)6-9(8)13/h5-6,16H,3-4,7H2,1-2H3.
What are the key properties of N,N-dimethyl-3-[(2,4,5-trifluorophenyl)methylamino]propanamide?
N,N-dimethyl-3-[(2,4,5-trifluorophenyl)methylamino]propanamide has a molecular weight of 260.26 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[(2,4,5-trifluorophenyl)methylamino]propanamide is sourced from PubChem (CID 103792850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).