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

C18H16F3NO4 — CID 16578596

IUPAC(4-methoxyphenyl)methyl 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
SMILESCOc1ccc(COC(=O)CNC(=O)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C18H16F3NO4/c1-25-15-8-2-12(3-9-15)11-26-16(23)10-22-17(24)13-4-6-14(7-5-13)18(19,20)21/h2-9H,10-11H2,1H3,(H,22,24)
InChIKeyLXPOEBRUVVBABE-UHFFFAOYSA-N
MW367.32 g/mol
LogP3.19
Rot. Bonds6

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

(4-methoxyphenyl)methyl 2-[[4-(trifluoromethyl)benzoyl]amino]acetate (PubChem CID 16578596) has the molecular formula C18H16F3NO4 and a molecular weight of 367.32 g/mol. Its IUPAC name is (4-methoxyphenyl)methyl 2-[[4-(trifluoromethyl)benzoyl]amino]acetate.

Molecular Properties

Compound Name(4-methoxyphenyl)methyl 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
PubChem CID16578596
Molecular FormulaC18H16F3NO4
Molecular Weight367.32 g/mol
Exact Mass367.10
IUPAC Name(4-methoxyphenyl)methyl 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
SMILESCOc1ccc(COC(=O)CNC(=O)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C18H16F3NO4/c1-25-15-8-2-12(3-9-15)11-26-16(23)10-22-17(24)13-4-6-14(7-5-13)18(19,20)21/h2-9H,10-11H2,1H3,(H,22,24)
InChIKeyLXPOEBRUVVBABE-UHFFFAOYSA-N
XLogP3.19
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.32
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-4-(trifluoromethyl)benzamide
CID 2162417
N'-(4-methoxybenzoyl)-4-(trifluoromethyl)benzohydrazide
CID 2548088
[3-(trifluoromethyl)phenyl]methyl 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
CID 35661532
[4-(2-cyanophenyl)phenyl]methyl 2-[(4-methoxybenzoyl)amino]acetate
CID 31117812
N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-4-(trifluoromethyl)benzamide
CID 90498239
methyl 4-[[2-[(4-ethoxybenzoyl)amino]acetyl]oxymethyl]benzoate
CID 7884840
N-[2-(4-methoxyphenyl)-2-methylpropyl]-4-(trifluoromethyl)benzamide
CID 113090468
benzyl 2-[[4-(trifluoromethoxy)benzoyl]amino]acetate
CID 27898594
(5-acetyl-2-methoxyphenyl)methyl 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
CID 40582967
2-(4-methoxyphenyl)ethyl 2-[(4-methylbenzoyl)amino]acetate
CID 42008768
(4-fluorophenyl)methyl 2-[(3-methoxybenzoyl)amino]acetate
CID 7899297
benzyl 2-[(3,5-dimethoxybenzoyl)amino]acetate
CID 24643690

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)methyl 2-[[4-(trifluoromethyl)benzoyl]amino]acetate?
The IUPAC name of (4-methoxyphenyl)methyl 2-[[4-(trifluoromethyl)benzoyl]amino]acetate (CID 16578596) is (4-methoxyphenyl)methyl 2-[[4-(trifluoromethyl)benzoyl]amino]acetate.
What is the SMILES notation for (4-methoxyphenyl)methyl 2-[[4-(trifluoromethyl)benzoyl]amino]acetate?
The canonical SMILES for (4-methoxyphenyl)methyl 2-[[4-(trifluoromethyl)benzoyl]amino]acetate is COc1ccc(COC(=O)CNC(=O)c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of (4-methoxyphenyl)methyl 2-[[4-(trifluoromethyl)benzoyl]amino]acetate?
The InChIKey is LXPOEBRUVVBABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3NO4/c1-25-15-8-2-12(3-9-15)11-26-16(23)10-22-17(24)13-4-6-14(7-5-13)18(19,20)21/h2-9H,10-11H2,1H3,(H,22,24).
What are the key properties of (4-methoxyphenyl)methyl 2-[[4-(trifluoromethyl)benzoyl]amino]acetate?
(4-methoxyphenyl)methyl 2-[[4-(trifluoromethyl)benzoyl]amino]acetate has a molecular weight of 367.32 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)methyl 2-[[4-(trifluoromethyl)benzoyl]amino]acetate is sourced from PubChem (CID 16578596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).