[3-(trifluoromethyl)phenyl]methyl 2-[[3-(difluoromethoxy)benzoyl]amino]acetate

C18H14F5NO4 — CID 42970121

IUPAC[3-(trifluoromethyl)phenyl]methyl 2-[[3-(difluoromethoxy)benzoyl]amino]acetate
SMILESO=C(CNC(=O)c1cccc(OC(F)F)c1)OCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H14F5NO4/c19-17(20)28-14-6-2-4-12(8-14)16(26)24-9-15(25)27-10-11-3-1-5-13(7-11)18(21,22)23/h1-8,17H,9-10H2,(H,24,26)
InChIKeyJEXKVTRSUYUHGR-UHFFFAOYSA-N
MW403.30 g/mol
LogP3.78
Rot. Bonds7

About [3-(trifluoromethyl)phenyl]methyl 2-[[3-(difluoromethoxy)benzoyl]amino]acetate

[3-(trifluoromethyl)phenyl]methyl 2-[[3-(difluoromethoxy)benzoyl]amino]acetate (PubChem CID 42970121) has the molecular formula C18H14F5NO4 and a molecular weight of 403.30 g/mol. Its IUPAC name is [3-(trifluoromethyl)phenyl]methyl 2-[[3-(difluoromethoxy)benzoyl]amino]acetate.

Molecular Properties

Compound Name[3-(trifluoromethyl)phenyl]methyl 2-[[3-(difluoromethoxy)benzoyl]amino]acetate
PubChem CID42970121
Molecular FormulaC18H14F5NO4
Molecular Weight403.30 g/mol
Exact Mass403.08
IUPAC Name[3-(trifluoromethyl)phenyl]methyl 2-[[3-(difluoromethoxy)benzoyl]amino]acetate
SMILESO=C(CNC(=O)c1cccc(OC(F)F)c1)OCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H14F5NO4/c19-17(20)28-14-6-2-4-12(8-14)16(26)24-9-15(25)27-10-11-3-1-5-13(7-11)18(21,22)23/h1-8,17H,9-10H2,(H,24,26)
InChIKeyJEXKVTRSUYUHGR-UHFFFAOYSA-N
XLogP3.78
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.30
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-(trifluoromethyl)phenyl]methyl 2-[[3-(difluoromethoxy)benzoyl]amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(trifluoromethyl)phenyl]methyl 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
CID 35661532
3-(difluoromethoxy)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 136577410
benzyl 2-[[4-(difluoromethoxy)benzoyl]amino]acetate
CID 30581064
benzyl 2-[(3-phenoxybenzoyl)amino]acetate
CID 7980431
N-(3-amino-2,2-difluoropropyl)-3-(difluoromethoxy)benzamide
CID 114383418
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-[[3-(difluoromethoxy)benzoyl]amino]acetate
CID 42970411
(4-fluorophenyl)methyl 2-[(3-methoxybenzoyl)amino]acetate
CID 7899297
3-(difluoromethoxy)-N-[2-oxo-2-(2-phenylethylamino)ethyl]benzamide
CID 51160991
N-(3,3-difluoro-2-hydroxypropyl)-3-(difluoromethoxy)benzamide
CID 103769717
1-(difluoromethoxy)-3-(trifluoromethyl)benzene
CID 13405100
N-(2-oxopropyl)-3-(trifluoromethyl)benzamide
CID 64997394
3-(trifluoromethoxy)-N-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]ethyl]benzamide
CID 2742040

Frequently Asked Questions

What is the IUPAC name of [3-(trifluoromethyl)phenyl]methyl 2-[[3-(difluoromethoxy)benzoyl]amino]acetate?
The IUPAC name of [3-(trifluoromethyl)phenyl]methyl 2-[[3-(difluoromethoxy)benzoyl]amino]acetate (CID 42970121) is [3-(trifluoromethyl)phenyl]methyl 2-[[3-(difluoromethoxy)benzoyl]amino]acetate.
What is the SMILES notation for [3-(trifluoromethyl)phenyl]methyl 2-[[3-(difluoromethoxy)benzoyl]amino]acetate?
The canonical SMILES for [3-(trifluoromethyl)phenyl]methyl 2-[[3-(difluoromethoxy)benzoyl]amino]acetate is O=C(CNC(=O)c1cccc(OC(F)F)c1)OCc1cccc(C(F)(F)F)c1.
What is the InChIKey of [3-(trifluoromethyl)phenyl]methyl 2-[[3-(difluoromethoxy)benzoyl]amino]acetate?
The InChIKey is JEXKVTRSUYUHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F5NO4/c19-17(20)28-14-6-2-4-12(8-14)16(26)24-9-15(25)27-10-11-3-1-5-13(7-11)18(21,22)23/h1-8,17H,9-10H2,(H,24,26).
What are the key properties of [3-(trifluoromethyl)phenyl]methyl 2-[[3-(difluoromethoxy)benzoyl]amino]acetate?
[3-(trifluoromethyl)phenyl]methyl 2-[[3-(difluoromethoxy)benzoyl]amino]acetate has a molecular weight of 403.30 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(trifluoromethyl)phenyl]methyl 2-[[3-(difluoromethoxy)benzoyl]amino]acetate is sourced from PubChem (CID 42970121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).