2-acetamido-N-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]acetamide

C14H16F3N3O3 — CID 60559844

IUPAC2-acetamido-N-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]acetamide
SMILESCC(=O)NCC(=O)NCC(=O)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H16F3N3O3/c1-9(21)18-7-12(22)20-8-13(23)19-6-10-2-4-11(5-3-10)14(15,16)17/h2-5H,6-8H2,1H3,(H,18,21)(H,19,23)(H,20,22)
InChIKeyXBLMHFUFTMJOCI-UHFFFAOYSA-N
MW331.29 g/mol
LogP0.57
Rot. Bonds6

About 2-acetamido-N-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]acetamide

2-acetamido-N-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]acetamide (PubChem CID 60559844) has the molecular formula C14H16F3N3O3 and a molecular weight of 331.29 g/mol. Its IUPAC name is 2-acetamido-N-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]acetamide.

Molecular Properties

Compound Name2-acetamido-N-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]acetamide
PubChem CID60559844
Molecular FormulaC14H16F3N3O3
Molecular Weight331.29 g/mol
Exact Mass331.11
IUPAC Name2-acetamido-N-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]acetamide
SMILESCC(=O)NCC(=O)NCC(=O)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H16F3N3O3/c1-9(21)18-7-12(22)20-8-13(23)19-6-10-2-4-11(5-3-10)14(15,16)17/h2-5H,6-8H2,1H3,(H,18,21)(H,19,23)(H,20,22)
InChIKeyXBLMHFUFTMJOCI-UHFFFAOYSA-N
XLogP0.57
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.29
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-acetamido-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 143901871
ethane;N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 144998983
4-fluoro-N-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]benzamide
CID 27052452
2-bromo-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 16757561
2-(4-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 27052812
N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-4-(trifluoromethyl)benzamide
CID 112993165
2-methylpyridine;N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 162170581
3-amino-3-sulfanylidene-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 62880466
3-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 110480479
4-hydroxy-3-methoxy-N-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]benzamide
CID 146422502
N-[[4-(trifluoromethyl)phenyl]methyl]but-3-enamide
CID 59536949
2-acetamido-N-[(4-aminophenyl)methyl]acetamide;methoxymethane
CID 143901890

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]acetamide?
The IUPAC name of 2-acetamido-N-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]acetamide (CID 60559844) is 2-acetamido-N-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]acetamide.
What is the SMILES notation for 2-acetamido-N-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]acetamide?
The canonical SMILES for 2-acetamido-N-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]acetamide is CC(=O)NCC(=O)NCC(=O)NCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-acetamido-N-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]acetamide?
The InChIKey is XBLMHFUFTMJOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O3/c1-9(21)18-7-12(22)20-8-13(23)19-6-10-2-4-11(5-3-10)14(15,16)17/h2-5H,6-8H2,1H3,(H,18,21)(H,19,23)(H,20,22).
What are the key properties of 2-acetamido-N-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]acetamide?
2-acetamido-N-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]acetamide has a molecular weight of 331.29 g/mol, XLogP of 0.57, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]acetamide is sourced from PubChem (CID 60559844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).