3,4,5-trimethoxy-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]benzamide

C19H19F3N2O5 — CID 26682580

IUPAC3,4,5-trimethoxy-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]benzamide
SMILESCOc1cc(C(=O)NCC(=O)Nc2ccc(C(F)(F)F)cc2)cc(OC)c1OC
InChIInChI=1S/C19H19F3N2O5/c1-27-14-8-11(9-15(28-2)17(14)29-3)18(26)23-10-16(25)24-13-6-4-12(5-7-13)19(20,21)22/h4-9H,10H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyCHRZIYBTFYPGNE-UHFFFAOYSA-N
MW412.36 g/mol
LogP3.10
Rot. Bonds7

About 3,4,5-trimethoxy-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]benzamide

3,4,5-trimethoxy-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]benzamide (PubChem CID 26682580) has the molecular formula C19H19F3N2O5 and a molecular weight of 412.36 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]benzamide
PubChem CID26682580
Molecular FormulaC19H19F3N2O5
Molecular Weight412.36 g/mol
Exact Mass412.12
IUPAC Name3,4,5-trimethoxy-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]benzamide
SMILESCOc1cc(C(=O)NCC(=O)Nc2ccc(C(F)(F)F)cc2)cc(OC)c1OC
InChIInChI=1S/C19H19F3N2O5/c1-27-14-8-11(9-15(28-2)17(14)29-3)18(26)23-10-16(25)24-13-6-4-12(5-7-13)19(20,21)22/h4-9H,10H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyCHRZIYBTFYPGNE-UHFFFAOYSA-N
XLogP3.10
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.36
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[[2-[[4-(trifluoromethyl)benzoyl]amino]acetyl]amino]benzoate
CID 9413553
[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 3,4,5-trimethoxybenzoate
CID 8013526
4-methyl-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]benzamide
CID 770701
N-[2-(4-acetylanilino)-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 26681918
3,4,5-trimethoxy-N-[(2S)-3-methyl-1-oxo-1-[4-(trifluoromethyl)anilino]butan-2-yl]benzamide
CID 41307358
N-[2-(3-acetamidoanilino)-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 27259117
3,4,5-trimethoxy-N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 27166909
3-[4-(trifluoromethyl)anilino]-N-(3,4,5-trimethoxyphenyl)propanamide
CID 109040860
tert-butyl N-[2-oxo-2-[4-[(3,4,5-trimethoxybenzoyl)amino]anilino]ethyl]carbamate
CID 108916894
4-chloro-N-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]benzamide
CID 27258608
3,4,5-trimethoxy-N-[2-[3-[(2-methoxyacetyl)amino]anilino]-2-oxoethyl]benzamide
CID 30831168
4-butoxy-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]benzamide
CID 4288928

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]benzamide (CID 26682580) is 3,4,5-trimethoxy-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]benzamide is COc1cc(C(=O)NCC(=O)Nc2ccc(C(F)(F)F)cc2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]benzamide?
The InChIKey is CHRZIYBTFYPGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O5/c1-27-14-8-11(9-15(28-2)17(14)29-3)18(26)23-10-16(25)24-13-6-4-12(5-7-13)19(20,21)22/h4-9H,10H2,1-3H3,(H,23,26)(H,24,25).
What are the key properties of 3,4,5-trimethoxy-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]benzamide?
3,4,5-trimethoxy-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]benzamide has a molecular weight of 412.36 g/mol, XLogP of 3.10, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]benzamide is sourced from PubChem (CID 26682580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).