(5-acetyl-2-methoxyphenyl)methyl 2-[[4-(trifluoromethyl)benzoyl]amino]acetate

C20H18F3NO5 — CID 40582967

IUPAC(5-acetyl-2-methoxyphenyl)methyl 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
SMILESCOc1ccc(C(C)=O)cc1COC(=O)CNC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H18F3NO5/c1-12(25)14-5-8-17(28-2)15(9-14)11-29-18(26)10-24-19(27)13-3-6-16(7-4-13)20(21,22)23/h3-9H,10-11H2,1-2H3,(H,24,27)
InChIKeyWACRTXDAKSKEOW-UHFFFAOYSA-N
MW409.36 g/mol
LogP3.39
Rot. Bonds7

About (5-acetyl-2-methoxyphenyl)methyl 2-[[4-(trifluoromethyl)benzoyl]amino]acetate

(5-acetyl-2-methoxyphenyl)methyl 2-[[4-(trifluoromethyl)benzoyl]amino]acetate (PubChem CID 40582967) has the molecular formula C20H18F3NO5 and a molecular weight of 409.36 g/mol. Its IUPAC name is (5-acetyl-2-methoxyphenyl)methyl 2-[[4-(trifluoromethyl)benzoyl]amino]acetate.

Molecular Properties

Compound Name(5-acetyl-2-methoxyphenyl)methyl 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
PubChem CID40582967
Molecular FormulaC20H18F3NO5
Molecular Weight409.36 g/mol
Exact Mass409.11
IUPAC Name(5-acetyl-2-methoxyphenyl)methyl 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
SMILESCOc1ccc(C(C)=O)cc1COC(=O)CNC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H18F3NO5/c1-12(25)14-5-8-17(28-2)15(9-14)11-29-18(26)10-24-19(27)13-3-6-16(7-4-13)20(21,22)23/h3-9H,10-11H2,1-2H3,(H,24,27)
InChIKeyWACRTXDAKSKEOW-UHFFFAOYSA-N
XLogP3.39
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.36
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-acetyl-2-methoxyphenyl)methyl 2-[(4-fluorobenzoyl)amino]acetate
CID 2121117
(5-acetyl-2-methoxyphenyl)methyl 2-[(3-methoxybenzoyl)amino]acetate
CID 7882051
(5-acetyl-2-methoxyphenyl)methyl 2-(1,3-benzodioxole-5-carbonylamino)acetate
CID 7883151
2-(5-acetyl-2-methoxyphenyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 31146981
(5-acetyl-2-ethoxyphenyl)methyl 2-[(4-chlorobenzoyl)amino]acetate
CID 7878744
(4-methoxyphenyl)methyl 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
CID 16578596
(5-acetyl-2-methoxyphenyl)methyl 2-(adamantane-1-carbonylamino)acetate
CID 7190646
(5-acetyl-2-ethoxyphenyl)methyl 2-[(4-butoxybenzoyl)amino]acetate
CID 29191315
[4-(difluoromethoxy)-5-methoxy-2-nitrophenyl]methyl 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
CID 25463185
(2-methoxyphenyl)methyl 2-[(4-bromobenzoyl)amino]acetate
CID 9364238
(5-acetyl-2-methoxyphenyl)methyl 6-(carbamoylamino)hexanoate
CID 8860206
[3-(trifluoromethyl)phenyl]methyl 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
CID 35661532

Frequently Asked Questions

What is the IUPAC name of (5-acetyl-2-methoxyphenyl)methyl 2-[[4-(trifluoromethyl)benzoyl]amino]acetate?
The IUPAC name of (5-acetyl-2-methoxyphenyl)methyl 2-[[4-(trifluoromethyl)benzoyl]amino]acetate (CID 40582967) is (5-acetyl-2-methoxyphenyl)methyl 2-[[4-(trifluoromethyl)benzoyl]amino]acetate.
What is the SMILES notation for (5-acetyl-2-methoxyphenyl)methyl 2-[[4-(trifluoromethyl)benzoyl]amino]acetate?
The canonical SMILES for (5-acetyl-2-methoxyphenyl)methyl 2-[[4-(trifluoromethyl)benzoyl]amino]acetate is COc1ccc(C(C)=O)cc1COC(=O)CNC(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (5-acetyl-2-methoxyphenyl)methyl 2-[[4-(trifluoromethyl)benzoyl]amino]acetate?
The InChIKey is WACRTXDAKSKEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3NO5/c1-12(25)14-5-8-17(28-2)15(9-14)11-29-18(26)10-24-19(27)13-3-6-16(7-4-13)20(21,22)23/h3-9H,10-11H2,1-2H3,(H,24,27).
What are the key properties of (5-acetyl-2-methoxyphenyl)methyl 2-[[4-(trifluoromethyl)benzoyl]amino]acetate?
(5-acetyl-2-methoxyphenyl)methyl 2-[[4-(trifluoromethyl)benzoyl]amino]acetate has a molecular weight of 409.36 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-acetyl-2-methoxyphenyl)methyl 2-[[4-(trifluoromethyl)benzoyl]amino]acetate is sourced from PubChem (CID 40582967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).