N-benzyl-2-(2,2,2-trifluoroethoxyamino)acetamide

C11H13F3N2O2 — CID 82721632

IUPACN-benzyl-2-(2,2,2-trifluoroethoxyamino)acetamide
SMILESO=C(CNOCC(F)(F)F)NCc1ccccc1
InChIInChI=1S/C11H13F3N2O2/c12-11(13,14)8-18-16-7-10(17)15-6-9-4-2-1-3-5-9/h1-5,16H,6-8H2,(H,15,17)
InChIKeyDTPIGWFHLKJWRQ-UHFFFAOYSA-N
MW262.23 g/mol
LogP1.39
Rot. Bonds6

About N-benzyl-2-(2,2,2-trifluoroethoxyamino)acetamide

N-benzyl-2-(2,2,2-trifluoroethoxyamino)acetamide (PubChem CID 82721632) has the molecular formula C11H13F3N2O2 and a molecular weight of 262.23 g/mol. Its IUPAC name is N-benzyl-2-(2,2,2-trifluoroethoxyamino)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(2,2,2-trifluoroethoxyamino)acetamide
PubChem CID82721632
Molecular FormulaC11H13F3N2O2
Molecular Weight262.23 g/mol
Exact Mass262.09
IUPAC NameN-benzyl-2-(2,2,2-trifluoroethoxyamino)acetamide
SMILESO=C(CNOCC(F)(F)F)NCc1ccccc1
InChIInChI=1S/C11H13F3N2O2/c12-11(13,14)8-18-16-7-10(17)15-6-9-4-2-1-3-5-9/h1-5,16H,6-8H2,(H,15,17)
InChIKeyDTPIGWFHLKJWRQ-UHFFFAOYSA-N
XLogP1.39
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-2-(methoxyamino)acetamide
CID 60702706
2-anilino-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide;hydrochloride
CID 119699219
1-benzyl-3-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]urea
CID 24664664
N-benzyl-2-[2-(benzylamino)-2-oxoethoxy]acetamide
CID 2322352
4-[(2,2,2-trifluoroethoxyamino)methyl]benzoic acid
CID 82711773
N-benzyl-2-hydrazinylacetamide
CID 15514349
N-benzyl-2-[(2,2-difluoro-3-hydroxypropyl)amino]acetamide
CID 106175936
2-amino-N-[2-(benzylamino)-2-oxoethyl]-3,3,3-trifluoro-2-methylpropanamide
CID 79792967
N-[2-(benzylamino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 36895898
N-[(4-methylphenyl)methyl]-2-[2-(2,2,2-trifluoroethoxy)anilino]acetamide
CID 55506183
N-ethyl-2-(phenylmethoxyamino)acetamide
CID 64974421
2-(methylamino)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide;hydrochloride
CID 119701626

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2,2,2-trifluoroethoxyamino)acetamide?
The IUPAC name of N-benzyl-2-(2,2,2-trifluoroethoxyamino)acetamide (CID 82721632) is N-benzyl-2-(2,2,2-trifluoroethoxyamino)acetamide.
What is the SMILES notation for N-benzyl-2-(2,2,2-trifluoroethoxyamino)acetamide?
The canonical SMILES for N-benzyl-2-(2,2,2-trifluoroethoxyamino)acetamide is O=C(CNOCC(F)(F)F)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-(2,2,2-trifluoroethoxyamino)acetamide?
The InChIKey is DTPIGWFHLKJWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2/c12-11(13,14)8-18-16-7-10(17)15-6-9-4-2-1-3-5-9/h1-5,16H,6-8H2,(H,15,17).
What are the key properties of N-benzyl-2-(2,2,2-trifluoroethoxyamino)acetamide?
N-benzyl-2-(2,2,2-trifluoroethoxyamino)acetamide has a molecular weight of 262.23 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(2,2,2-trifluoroethoxyamino)acetamide is sourced from PubChem (CID 82721632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).