[2-(trifluoromethyl)phenyl]methyl 2-[(2-ethoxybenzoyl)amino]acetate

C19H18F3NO4 — CID 7807869

IUPAC[2-(trifluoromethyl)phenyl]methyl 2-[(2-ethoxybenzoyl)amino]acetate
SMILESCCOc1ccccc1C(=O)NCC(=O)OCc1ccccc1C(F)(F)F
InChIInChI=1S/C19H18F3NO4/c1-2-26-16-10-6-4-8-14(16)18(25)23-11-17(24)27-12-13-7-3-5-9-15(13)19(20,21)22/h3-10H,2,11-12H2,1H3,(H,23,25)
InChIKeyOELUWSACHKRHPW-UHFFFAOYSA-N
MW381.35 g/mol
LogP3.58
Rot. Bonds7

About [2-(trifluoromethyl)phenyl]methyl 2-[(2-ethoxybenzoyl)amino]acetate

[2-(trifluoromethyl)phenyl]methyl 2-[(2-ethoxybenzoyl)amino]acetate (PubChem CID 7807869) has the molecular formula C19H18F3NO4 and a molecular weight of 381.35 g/mol. Its IUPAC name is [2-(trifluoromethyl)phenyl]methyl 2-[(2-ethoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-(trifluoromethyl)phenyl]methyl 2-[(2-ethoxybenzoyl)amino]acetate
PubChem CID7807869
Molecular FormulaC19H18F3NO4
Molecular Weight381.35 g/mol
Exact Mass381.12
IUPAC Name[2-(trifluoromethyl)phenyl]methyl 2-[(2-ethoxybenzoyl)amino]acetate
SMILESCCOc1ccccc1C(=O)NCC(=O)OCc1ccccc1C(F)(F)F
InChIInChI=1S/C19H18F3NO4/c1-2-26-16-10-6-4-8-14(16)18(25)23-11-17(24)27-12-13-7-3-5-9-15(13)19(20,21)22/h3-10H,2,11-12H2,1H3,(H,23,25)
InChIKeyOELUWSACHKRHPW-UHFFFAOYSA-N
XLogP3.58
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.35
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methylphenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 7807817
(2-chlorophenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 7951719
ethyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 4056517
[2-(trifluoromethyl)phenyl]methyl 2-[(2-iodobenzoyl)amino]acetate
CID 55307467
(4-chlorophenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 7807819
(2-ethoxyphenyl)methyl 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 9270866
(3-fluoro-4-methoxyphenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 8662119
(6,7-dimethyl-2-oxochromen-4-yl)methyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 7807783
(1,3-dioxoisoindol-2-yl)methyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 7807779
(2-ethoxyphenyl)methyl 2-[(4-methoxybenzoyl)amino]acetate
CID 8788915
[2-(methylcarbamoylamino)-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 2547953
[2-(2,6-difluoroanilino)-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 7807837

Frequently Asked Questions

What is the IUPAC name of [2-(trifluoromethyl)phenyl]methyl 2-[(2-ethoxybenzoyl)amino]acetate?
The IUPAC name of [2-(trifluoromethyl)phenyl]methyl 2-[(2-ethoxybenzoyl)amino]acetate (CID 7807869) is [2-(trifluoromethyl)phenyl]methyl 2-[(2-ethoxybenzoyl)amino]acetate.
What is the SMILES notation for [2-(trifluoromethyl)phenyl]methyl 2-[(2-ethoxybenzoyl)amino]acetate?
The canonical SMILES for [2-(trifluoromethyl)phenyl]methyl 2-[(2-ethoxybenzoyl)amino]acetate is CCOc1ccccc1C(=O)NCC(=O)OCc1ccccc1C(F)(F)F.
What is the InChIKey of [2-(trifluoromethyl)phenyl]methyl 2-[(2-ethoxybenzoyl)amino]acetate?
The InChIKey is OELUWSACHKRHPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3NO4/c1-2-26-16-10-6-4-8-14(16)18(25)23-11-17(24)27-12-13-7-3-5-9-15(13)19(20,21)22/h3-10H,2,11-12H2,1H3,(H,23,25).
What are the key properties of [2-(trifluoromethyl)phenyl]methyl 2-[(2-ethoxybenzoyl)amino]acetate?
[2-(trifluoromethyl)phenyl]methyl 2-[(2-ethoxybenzoyl)amino]acetate has a molecular weight of 381.35 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(trifluoromethyl)phenyl]methyl 2-[(2-ethoxybenzoyl)amino]acetate is sourced from PubChem (CID 7807869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).