4-butoxy-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]benzamide

C20H21F3N2O3 — CID 4288928

IUPAC4-butoxy-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]benzamide
SMILESCCCCOc1ccc(C(=O)NCC(=O)Nc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C20H21F3N2O3/c1-2-3-12-28-17-10-4-14(5-11-17)19(27)24-13-18(26)25-16-8-6-15(7-9-16)20(21,22)23/h4-11H,2-3,12-13H2,1H3,(H,24,27)(H,25,26)
InChIKeyAZXUJVRNGGAYNH-UHFFFAOYSA-N
MW394.39 g/mol
LogP4.25
Rot. Bonds8

About 4-butoxy-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]benzamide

4-butoxy-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]benzamide (PubChem CID 4288928) has the molecular formula C20H21F3N2O3 and a molecular weight of 394.39 g/mol. Its IUPAC name is 4-butoxy-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]benzamide.

Molecular Properties

Compound Name4-butoxy-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]benzamide
PubChem CID4288928
Molecular FormulaC20H21F3N2O3
Molecular Weight394.39 g/mol
Exact Mass394.15
IUPAC Name4-butoxy-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]benzamide
SMILESCCCCOc1ccc(C(=O)NCC(=O)Nc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C20H21F3N2O3/c1-2-3-12-28-17-10-4-14(5-11-17)19(27)24-13-18(26)25-16-8-6-15(7-9-16)20(21,22)23/h4-11H,2-3,12-13H2,1H3,(H,24,27)(H,25,26)
InChIKeyAZXUJVRNGGAYNH-UHFFFAOYSA-N
XLogP4.25
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.39
LogP ≤ 54.25
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

methyl 4-[[2-[[4-(trifluoromethyl)benzoyl]amino]acetyl]amino]benzoate
CID 9413553
4-methyl-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]benzamide
CID 770701
N-[2-(4-acetylanilino)-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 26681918
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-[(4-butoxybenzoyl)amino]acetate
CID 42963640
4-butoxy-N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]benzamide
CID 7973711
4-ethoxy-N-[2-(4-fluoroanilino)-2-oxoethyl]benzamide
CID 9416291
N-[2-(4-ethoxyanilino)-2-oxoethyl]-4-fluorobenzamide
CID 2967136
4-butoxy-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxoethyl]benzamide
CID 8533935
N-[2-(butylamino)-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 112990650
3,4,5-trimethoxy-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]benzamide
CID 26682580
4-butoxy-N-[2-(2-methylanilino)-2-oxoethyl]benzamide
CID 9342156
4-fluoro-N-[2-oxo-2-[2-[4-(trifluoromethyl)phenoxy]ethylamino]ethyl]benzamide
CID 47059246

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]benzamide?
The IUPAC name of 4-butoxy-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]benzamide (CID 4288928) is 4-butoxy-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]benzamide.
What is the SMILES notation for 4-butoxy-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]benzamide?
The canonical SMILES for 4-butoxy-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]benzamide is CCCCOc1ccc(C(=O)NCC(=O)Nc2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 4-butoxy-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]benzamide?
The InChIKey is AZXUJVRNGGAYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O3/c1-2-3-12-28-17-10-4-14(5-11-17)19(27)24-13-18(26)25-16-8-6-15(7-9-16)20(21,22)23/h4-11H,2-3,12-13H2,1H3,(H,24,27)(H,25,26).
What are the key properties of 4-butoxy-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]benzamide?
4-butoxy-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]benzamide has a molecular weight of 394.39 g/mol, XLogP of 4.25, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]benzamide is sourced from PubChem (CID 4288928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).