benzyl 2-[[4-(difluoromethoxy)benzoyl]amino]acetate

C17H15F2NO4 — CID 30581064

IUPACbenzyl 2-[[4-(difluoromethoxy)benzoyl]amino]acetate
SMILESO=C(CNC(=O)c1ccc(OC(F)F)cc1)OCc1ccccc1
InChIInChI=1S/C17H15F2NO4/c18-17(19)24-14-8-6-13(7-9-14)16(22)20-10-15(21)23-11-12-4-2-1-3-5-12/h1-9,17H,10-11H2,(H,20,22)
InChIKeyRWGLQDVQBJMIRY-UHFFFAOYSA-N
MW335.31 g/mol
LogP2.76
Rot. Bonds7

About benzyl 2-[[4-(difluoromethoxy)benzoyl]amino]acetate

benzyl 2-[[4-(difluoromethoxy)benzoyl]amino]acetate (PubChem CID 30581064) has the molecular formula C17H15F2NO4 and a molecular weight of 335.31 g/mol. Its IUPAC name is benzyl 2-[[4-(difluoromethoxy)benzoyl]amino]acetate.

Molecular Properties

Compound Namebenzyl 2-[[4-(difluoromethoxy)benzoyl]amino]acetate
PubChem CID30581064
Molecular FormulaC17H15F2NO4
Molecular Weight335.31 g/mol
Exact Mass335.10
IUPAC Namebenzyl 2-[[4-(difluoromethoxy)benzoyl]amino]acetate
SMILESO=C(CNC(=O)c1ccc(OC(F)F)cc1)OCc1ccccc1
InChIInChI=1S/C17H15F2NO4/c18-17(19)24-14-8-6-13(7-9-14)16(22)20-10-15(21)23-11-12-4-2-1-3-5-12/h1-9,17H,10-11H2,(H,20,22)
InChIKeyRWGLQDVQBJMIRY-UHFFFAOYSA-N
XLogP2.76
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.31
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 2-[[4-(trifluoromethoxy)benzoyl]amino]acetate
CID 27898594
benzyl 2-benzamidoacetate;ethane
CID 142836612
[3-(trifluoromethyl)phenyl]methyl 2-[[3-(difluoromethoxy)benzoyl]amino]acetate
CID 42970121
benzyl 2-[(3,5-dimethoxybenzoyl)amino]acetate
CID 24643690
benzyl 2-[(3-fluoro-4-methylbenzoyl)amino]acetate
CID 27711366
benzyl 2-[(3-phenoxybenzoyl)amino]acetate
CID 7980431
benzyl 2-[(2-phenylacetyl)amino]acetate
CID 2168453
N-[2-[4-(difluoromethoxy)anilino]-2-oxoethyl]-4-phenoxybenzamide
CID 9405216
(4-methoxyphenyl)methyl 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
CID 16578596
(4-methylsulfanylphenyl)methyl 2-benzamidoacetate
CID 7783424
benzyl 2-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]acetate
CID 55473566
benzyl 2-[[4-(thiophene-2-carbonylamino)benzoyl]amino]acetate
CID 27711279

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[[4-(difluoromethoxy)benzoyl]amino]acetate?
The IUPAC name of benzyl 2-[[4-(difluoromethoxy)benzoyl]amino]acetate (CID 30581064) is benzyl 2-[[4-(difluoromethoxy)benzoyl]amino]acetate.
What is the SMILES notation for benzyl 2-[[4-(difluoromethoxy)benzoyl]amino]acetate?
The canonical SMILES for benzyl 2-[[4-(difluoromethoxy)benzoyl]amino]acetate is O=C(CNC(=O)c1ccc(OC(F)F)cc1)OCc1ccccc1.
What is the InChIKey of benzyl 2-[[4-(difluoromethoxy)benzoyl]amino]acetate?
The InChIKey is RWGLQDVQBJMIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2NO4/c18-17(19)24-14-8-6-13(7-9-14)16(22)20-10-15(21)23-11-12-4-2-1-3-5-12/h1-9,17H,10-11H2,(H,20,22).
What are the key properties of benzyl 2-[[4-(difluoromethoxy)benzoyl]amino]acetate?
benzyl 2-[[4-(difluoromethoxy)benzoyl]amino]acetate has a molecular weight of 335.31 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[[4-(difluoromethoxy)benzoyl]amino]acetate is sourced from PubChem (CID 30581064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).