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

C12H15F3N2O — CID 103792586

IUPACN,N-dimethyl-2-[(2,4,5-trifluorophenyl)methylamino]propanamide
SMILESCC(NCc1cc(F)c(F)cc1F)C(=O)N(C)C
InChIInChI=1S/C12H15F3N2O/c1-7(12(18)17(2)3)16-6-8-4-10(14)11(15)5-9(8)13/h4-5,7,16H,6H2,1-3H3
InChIKeyAKEWDXLCHXTAAC-UHFFFAOYSA-N
MW260.26 g/mol
LogP1.67
Rot. Bonds4

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

N,N-dimethyl-2-[(2,4,5-trifluorophenyl)methylamino]propanamide (PubChem CID 103792586) has the molecular formula C12H15F3N2O and a molecular weight of 260.26 g/mol. Its IUPAC name is N,N-dimethyl-2-[(2,4,5-trifluorophenyl)methylamino]propanamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[(2,4,5-trifluorophenyl)methylamino]propanamide
PubChem CID103792586
Molecular FormulaC12H15F3N2O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC NameN,N-dimethyl-2-[(2,4,5-trifluorophenyl)methylamino]propanamide
SMILESCC(NCc1cc(F)c(F)cc1F)C(=O)N(C)C
InChIInChI=1S/C12H15F3N2O/c1-7(12(18)17(2)3)16-6-8-4-10(14)11(15)5-9(8)13/h4-5,7,16H,6H2,1-3H3
InChIKeyAKEWDXLCHXTAAC-UHFFFAOYSA-N
XLogP1.67
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-[(3-fluoro-4-hydroxyphenyl)methylamino]-N,N-dimethylpropanamide
CID 107685376
(2R)-3-methyl-2-[(2,4,5-trifluorophenyl)methylamino]butanoic acid
CID 120511025
3-methyl-2-[(2,4,5-trifluorophenyl)methylamino]butanoic acid
CID 106463355
2-[(3,5-dimethylphenyl)methylamino]-N,N-dimethylpropanamide
CID 54983664
4-methyl-N-[(2,4,5-trifluorophenyl)methyl]pent-1-yn-3-amine
CID 114202121
(2R)-2-[(2-bromophenyl)methylamino]-N,N-dimethylpropanamide
CID 103735378
2-[(2-chloro-4-methylphenyl)methylamino]-N,N-dimethylpropanamide
CID 106862474
N,N-dimethyl-3-[(2,4,5-trifluorophenyl)methylamino]propanamide
CID 103792850
methyl 2-[[[1-(dimethylamino)-1-oxopropan-2-yl]amino]methyl]benzoate
CID 43778098
N,N-dimethyl-2-[(2-propan-2-yloxyphenyl)methylamino]propanamide
CID 43778094
2-[(4-cyclopropylphenyl)methylamino]-N,N-dimethylpropanamide
CID 79979065
2-[(2,4,5-trifluorophenyl)methylamino]propane-1,3-diol
CID 115732638

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(2,4,5-trifluorophenyl)methylamino]propanamide?
The IUPAC name of N,N-dimethyl-2-[(2,4,5-trifluorophenyl)methylamino]propanamide (CID 103792586) is N,N-dimethyl-2-[(2,4,5-trifluorophenyl)methylamino]propanamide.
What is the SMILES notation for N,N-dimethyl-2-[(2,4,5-trifluorophenyl)methylamino]propanamide?
The canonical SMILES for N,N-dimethyl-2-[(2,4,5-trifluorophenyl)methylamino]propanamide is CC(NCc1cc(F)c(F)cc1F)C(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-2-[(2,4,5-trifluorophenyl)methylamino]propanamide?
The InChIKey is AKEWDXLCHXTAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O/c1-7(12(18)17(2)3)16-6-8-4-10(14)11(15)5-9(8)13/h4-5,7,16H,6H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[(2,4,5-trifluorophenyl)methylamino]propanamide?
N,N-dimethyl-2-[(2,4,5-trifluorophenyl)methylamino]propanamide has a molecular weight of 260.26 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(2,4,5-trifluorophenyl)methylamino]propanamide is sourced from PubChem (CID 103792586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).