2,2,2-trifluoro-N-[4-[(propan-2-ylamino)methyl]phenyl]acetamide

C12H15F3N2O — CID 15498276

IUPAC2,2,2-trifluoro-N-[4-[(propan-2-ylamino)methyl]phenyl]acetamide
SMILESCC(C)NCc1ccc(NC(=O)C(F)(F)F)cc1
InChIInChI=1S/C12H15F3N2O/c1-8(2)16-7-9-3-5-10(6-4-9)17-11(18)12(13,14)15/h3-6,8,16H,7H2,1-2H3,(H,17,18)
InChIKeyAMMJPJPUHYRFST-UHFFFAOYSA-N
MW260.26 g/mol
LogP2.69
Rot. Bonds4

About 2,2,2-trifluoro-N-[4-[(propan-2-ylamino)methyl]phenyl]acetamide

2,2,2-trifluoro-N-[4-[(propan-2-ylamino)methyl]phenyl]acetamide (PubChem CID 15498276) has the molecular formula C12H15F3N2O and a molecular weight of 260.26 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[4-[(propan-2-ylamino)methyl]phenyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[4-[(propan-2-ylamino)methyl]phenyl]acetamide
PubChem CID15498276
Molecular FormulaC12H15F3N2O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC Name2,2,2-trifluoro-N-[4-[(propan-2-ylamino)methyl]phenyl]acetamide
SMILESCC(C)NCc1ccc(NC(=O)C(F)(F)F)cc1
InChIInChI=1S/C12H15F3N2O/c1-8(2)16-7-9-3-5-10(6-4-9)17-11(18)12(13,14)15/h3-6,8,16H,7H2,1-2H3,(H,17,18)
InChIKeyAMMJPJPUHYRFST-UHFFFAOYSA-N
XLogP2.69
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-trifluoro-N-[4-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]phenyl]acetamide
CID 3688505
2,2,2-trifluoro-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]acetamide
CID 5013683
2-methyl-N-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]prop-2-enamide
CID 108933950
N-[4-(chloromethyl)phenyl]-2,2,2-trifluoroacetamide
CID 117275285
phenyl N-[4-[(propan-2-ylamino)methyl]phenyl]carbamate
CID 106911564
3-methyl-N-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]but-2-enamide
CID 108933948
3-methyl-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]butanamide
CID 108933613
N-[4-(2-bromobutyl)phenyl]-2,2,2-trifluoroacetamide
CID 82259344
N-[4-[(propan-2-ylamino)methyl]phenyl]pentanamide
CID 106910393
2-methyl-N-[4-[(propan-2-ylamino)methyl]phenyl]cyclopropane-1-carboxamide
CID 106910392
4-cyano-N-[4-[4-[(propan-2-ylamino)methyl]phenyl]phenyl]benzamide;2,2,2-trifluoroacetic acid
CID 44524268
N-[4-[[4-[[4-(2,2-dimethylpropanoylamino)anilino]methyl]phenyl]methylamino]phenyl]-2,2-dimethylpropanamide
CID 155301754

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[4-[(propan-2-ylamino)methyl]phenyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[4-[(propan-2-ylamino)methyl]phenyl]acetamide (CID 15498276) is 2,2,2-trifluoro-N-[4-[(propan-2-ylamino)methyl]phenyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[4-[(propan-2-ylamino)methyl]phenyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[4-[(propan-2-ylamino)methyl]phenyl]acetamide is CC(C)NCc1ccc(NC(=O)C(F)(F)F)cc1.
What is the InChIKey of 2,2,2-trifluoro-N-[4-[(propan-2-ylamino)methyl]phenyl]acetamide?
The InChIKey is AMMJPJPUHYRFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O/c1-8(2)16-7-9-3-5-10(6-4-9)17-11(18)12(13,14)15/h3-6,8,16H,7H2,1-2H3,(H,17,18).
What are the key properties of 2,2,2-trifluoro-N-[4-[(propan-2-ylamino)methyl]phenyl]acetamide?
2,2,2-trifluoro-N-[4-[(propan-2-ylamino)methyl]phenyl]acetamide has a molecular weight of 260.26 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[4-[(propan-2-ylamino)methyl]phenyl]acetamide is sourced from PubChem (CID 15498276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).