4-methoxy-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]benzamide

C12H13F3N2O3 — CID 108537590

IUPAC4-methoxy-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCNC(=O)C(F)(F)F)cc1
InChIInChI=1S/C12H13F3N2O3/c1-20-9-4-2-8(3-5-9)10(18)16-6-7-17-11(19)12(13,14)15/h2-5H,6-7H2,1H3,(H,16,18)(H,17,19)
InChIKeyJKTDOAWQMRDUQF-UHFFFAOYSA-N
MW290.24 g/mol
LogP1.10
Rot. Bonds5

About 4-methoxy-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]benzamide

4-methoxy-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]benzamide (PubChem CID 108537590) has the molecular formula C12H13F3N2O3 and a molecular weight of 290.24 g/mol. Its IUPAC name is 4-methoxy-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]benzamide
PubChem CID108537590
Molecular FormulaC12H13F3N2O3
Molecular Weight290.24 g/mol
Exact Mass290.09
IUPAC Name4-methoxy-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCNC(=O)C(F)(F)F)cc1
InChIInChI=1S/C12H13F3N2O3/c1-20-9-4-2-8(3-5-9)10(18)16-6-7-17-11(19)12(13,14)15/h2-5H,6-7H2,1H3,(H,16,18)(H,17,19)
InChIKeyJKTDOAWQMRDUQF-UHFFFAOYSA-N
XLogP1.10
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.24
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-N-[2-[[4-(trifluoromethylsulfonyl)benzoyl]amino]ethyl]benzamide
CID 55880093
N-(2-acetamidoethyl)-4-methoxybenzamide
CID 30596623
N-[2-[(4-methoxybenzoyl)amino]ethyl]-4-methylbenzamide
CID 108537787
N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-4-(trifluoromethyl)benzamide
CID 108537709
tert-butyl N-[2-[(4-methoxybenzoyl)amino]ethyl]carbamate
CID 71505026
N-[2-(4-methoxyphenyl)ethyl]-4-(trifluoromethyl)benzamide
CID 2162417
4-methoxy-N-[2-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]ethyl]benzamide
CID 60513577
4-tert-butyl-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]benzamide
CID 108934829
N-(2,2-difluoro-3-hydroxypropyl)-4-methoxybenzamide
CID 104857865
2-[(4-methoxybenzoyl)amino]ethyl-dimethylazanium
CID 7458489
4-methoxy-N-(4-methoxybutyl)benzamide
CID 110417955
4-methoxy-N-pentylbenzamide
CID 3113360

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]benzamide?
The IUPAC name of 4-methoxy-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]benzamide (CID 108537590) is 4-methoxy-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]benzamide?
The canonical SMILES for 4-methoxy-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]benzamide is COc1ccc(C(=O)NCCNC(=O)C(F)(F)F)cc1.
What is the InChIKey of 4-methoxy-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]benzamide?
The InChIKey is JKTDOAWQMRDUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O3/c1-20-9-4-2-8(3-5-9)10(18)16-6-7-17-11(19)12(13,14)15/h2-5H,6-7H2,1H3,(H,16,18)(H,17,19).
What are the key properties of 4-methoxy-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]benzamide?
4-methoxy-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]benzamide has a molecular weight of 290.24 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]benzamide is sourced from PubChem (CID 108537590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).