4-oxo-N-[[3-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]pentanamide

C14H15F3N2O3 — CID 108934610

IUPAC4-oxo-N-[[3-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]pentanamide
SMILESCC(=O)CCC(=O)NCc1cccc(NC(=O)C(F)(F)F)c1
InChIInChI=1S/C14H15F3N2O3/c1-9(20)5-6-12(21)18-8-10-3-2-4-11(7-10)19-13(22)14(15,16)17/h2-4,7H,5-6,8H2,1H3,(H,18,21)(H,19,22)
InChIKeyYBDAKOONMIVEAG-UHFFFAOYSA-N
MW316.28 g/mol
LogP2.17
Rot. Bonds6

About 4-oxo-N-[[3-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]pentanamide

4-oxo-N-[[3-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]pentanamide (PubChem CID 108934610) has the molecular formula C14H15F3N2O3 and a molecular weight of 316.28 g/mol. Its IUPAC name is 4-oxo-N-[[3-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]pentanamide.

Molecular Properties

Compound Name4-oxo-N-[[3-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]pentanamide
PubChem CID108934610
Molecular FormulaC14H15F3N2O3
Molecular Weight316.28 g/mol
Exact Mass316.10
IUPAC Name4-oxo-N-[[3-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]pentanamide
SMILESCC(=O)CCC(=O)NCc1cccc(NC(=O)C(F)(F)F)c1
InChIInChI=1S/C14H15F3N2O3/c1-9(20)5-6-12(21)18-8-10-3-2-4-11(7-10)19-13(22)14(15,16)17/h2-4,7H,5-6,8H2,1H3,(H,18,21)(H,19,22)
InChIKeyYBDAKOONMIVEAG-UHFFFAOYSA-N
XLogP2.17
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.28
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]propanamide
CID 108934568
N-[[3-[(2-cyanoacetyl)amino]phenyl]methyl]-4-oxopentanamide
CID 108924089
2,2,2-trifluoro-N-[3-[(2-methylprop-2-enylamino)methyl]phenyl]acetamide
CID 114615567
N-[3-[(2,2-dimethylpropylamino)methyl]phenyl]-2,2,2-trifluoroacetamide
CID 61167213
2,2,2-trifluoro-N-[3-[[[2-(4-propylphenoxy)acetyl]amino]methyl]phenyl]acetamide
CID 108934485
3-methyl-N-[3-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]but-2-enamide
CID 108934722
3-(3-methylphenyl)-N-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]propanamide
CID 108933890
3-methyl-N-[3-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]benzamide
CID 108934541
N-(3-acetamidophenyl)-2,2,2-trifluoroacetamide
CID 895724
N-[3-[(1,3-dihydroxypropan-2-ylamino)methyl]phenyl]-2,2,2-trifluoroacetamide
CID 65312736
N-[3-(hydroxymethyl)phenyl]-4-oxopentanamide
CID 62197477
N-[3-[[[2-(dimethylamino)-2-oxoethyl]amino]methyl]phenyl]-2,2,2-trifluoroacetamide
CID 60999621

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-[[3-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]pentanamide?
The IUPAC name of 4-oxo-N-[[3-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]pentanamide (CID 108934610) is 4-oxo-N-[[3-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]pentanamide.
What is the SMILES notation for 4-oxo-N-[[3-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]pentanamide?
The canonical SMILES for 4-oxo-N-[[3-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]pentanamide is CC(=O)CCC(=O)NCc1cccc(NC(=O)C(F)(F)F)c1.
What is the InChIKey of 4-oxo-N-[[3-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]pentanamide?
The InChIKey is YBDAKOONMIVEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O3/c1-9(20)5-6-12(21)18-8-10-3-2-4-11(7-10)19-13(22)14(15,16)17/h2-4,7H,5-6,8H2,1H3,(H,18,21)(H,19,22).
What are the key properties of 4-oxo-N-[[3-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]pentanamide?
4-oxo-N-[[3-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]pentanamide has a molecular weight of 316.28 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-[[3-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]pentanamide is sourced from PubChem (CID 108934610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).