N-[[3-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]propanamide

C12H13F3N2O2 — CID 108934568

IUPACN-[[3-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]propanamide
SMILESCCC(=O)NCc1cccc(NC(=O)C(F)(F)F)c1
InChIInChI=1S/C12H13F3N2O2/c1-2-10(18)16-7-8-4-3-5-9(6-8)17-11(19)12(13,14)15/h3-6H,2,7H2,1H3,(H,16,18)(H,17,19)
InChIKeyXZKPYNYNJBTWSI-UHFFFAOYSA-N
MW274.24 g/mol
LogP2.21
Rot. Bonds4

About N-[[3-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]propanamide

N-[[3-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]propanamide (PubChem CID 108934568) has the molecular formula C12H13F3N2O2 and a molecular weight of 274.24 g/mol. Its IUPAC name is N-[[3-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]propanamide.

Molecular Properties

Compound NameN-[[3-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]propanamide
PubChem CID108934568
Molecular FormulaC12H13F3N2O2
Molecular Weight274.24 g/mol
Exact Mass274.09
IUPAC NameN-[[3-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]propanamide
SMILESCCC(=O)NCc1cccc(NC(=O)C(F)(F)F)c1
InChIInChI=1S/C12H13F3N2O2/c1-2-10(18)16-7-8-4-3-5-9(6-8)17-11(19)12(13,14)15/h3-6H,2,7H2,1H3,(H,16,18)(H,17,19)
InChIKeyXZKPYNYNJBTWSI-UHFFFAOYSA-N
XLogP2.21
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-oxo-N-[[3-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]pentanamide
CID 108934610
2,2,2-trifluoro-N-[3-[[[2-(4-propylphenoxy)acetyl]amino]methyl]phenyl]acetamide
CID 108934485
N-[3-[(2,2-dimethylpropylamino)methyl]phenyl]-2,2,2-trifluoroacetamide
CID 61167213
2,2,2-trifluoro-N-[3-[(2-methylprop-2-enylamino)methyl]phenyl]acetamide
CID 114615567
N-[3-[(1,3-dihydroxypropan-2-ylamino)methyl]phenyl]-2,2,2-trifluoroacetamide
CID 65312736
3-methyl-N-[3-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]but-2-enamide
CID 108934722
N-[3-[[[2-(dimethylamino)-2-oxoethyl]amino]methyl]phenyl]-2,2,2-trifluoroacetamide
CID 60999621
(E)-3-(4-methylphenyl)-N-[[3-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]prop-2-enamide
CID 108934709
N-[3-[(2-ethoxyanilino)methyl]phenyl]-2,2,2-trifluoroacetamide
CID 113225288
2,2,2-trifluoro-N-[[3-[[2-(3-methoxyphenyl)acetyl]amino]phenyl]methyl]acetamide
CID 108934640
3-[(propanoylamino)methyl]benzoic acid
CID 20745849
3-methyl-N-[3-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]benzamide
CID 108934541

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]propanamide?
The IUPAC name of N-[[3-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]propanamide (CID 108934568) is N-[[3-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]propanamide.
What is the SMILES notation for N-[[3-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]propanamide?
The canonical SMILES for N-[[3-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]propanamide is CCC(=O)NCc1cccc(NC(=O)C(F)(F)F)c1.
What is the InChIKey of N-[[3-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]propanamide?
The InChIKey is XZKPYNYNJBTWSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O2/c1-2-10(18)16-7-8-4-3-5-9(6-8)17-11(19)12(13,14)15/h3-6H,2,7H2,1H3,(H,16,18)(H,17,19).
What are the key properties of N-[[3-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]propanamide?
N-[[3-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]propanamide has a molecular weight of 274.24 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]propanamide is sourced from PubChem (CID 108934568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).