phenacyl 2-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]acetate

C19H17F2NO6 — CID 7580682

IUPACphenacyl 2-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]acetate
SMILESCOc1cc(C(=O)NCC(=O)OCC(=O)c2ccccc2)ccc1OC(F)F
InChIInChI=1S/C19H17F2NO6/c1-26-16-9-13(7-8-15(16)28-19(20)21)18(25)22-10-17(24)27-11-14(23)12-5-3-2-4-6-12/h2-9,19H,10-11H2,1H3,(H,22,25)
InChIKeyNAKYSFFNFNVMMT-UHFFFAOYSA-N
MW393.34 g/mol
LogP2.45
Rot. Bonds9

About phenacyl 2-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]acetate

phenacyl 2-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]acetate (PubChem CID 7580682) has the molecular formula C19H17F2NO6 and a molecular weight of 393.34 g/mol. Its IUPAC name is phenacyl 2-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]acetate.

Molecular Properties

Compound Namephenacyl 2-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]acetate
PubChem CID7580682
Molecular FormulaC19H17F2NO6
Molecular Weight393.34 g/mol
Exact Mass393.10
IUPAC Namephenacyl 2-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]acetate
SMILESCOc1cc(C(=O)NCC(=O)OCC(=O)c2ccccc2)ccc1OC(F)F
InChIInChI=1S/C19H17F2NO6/c1-26-16-9-13(7-8-15(16)28-19(20)21)18(25)22-10-17(24)27-11-14(23)12-5-3-2-4-6-12/h2-9,19H,10-11H2,1H3,(H,22,25)
InChIKeyNAKYSFFNFNVMMT-UHFFFAOYSA-N
XLogP2.45
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.34
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-oxo-2-(propylamino)ethyl] 2-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]acetate
CID 7580652
[2-oxo-2-(pentan-3-ylamino)ethyl] 2-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]acetate
CID 7580651
methyl 2-[[3-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]benzoyl]amino]acetate
CID 55727946
(4-chlorophenyl)methyl 2-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]acetate
CID 7580674
4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]benzamide
CID 9315107
phenacyl 2-[(3-methoxybenzoyl)amino]acetate
CID 2165686
4-(difluoromethoxy)-N-(2-hydroxyethyl)-3-methoxybenzamide
CID 78783270
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate
CID 8521806
4-(difluoromethoxy)-3-methoxy-N-propylbenzamide
CID 78768368
4-(difluoromethoxy)-3-methoxy-N-phenylbenzamide
CID 2171846
N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]benzamide
CID 40716159
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-[(3-bromobenzoyl)amino]acetate
CID 46814133

Frequently Asked Questions

What is the IUPAC name of phenacyl 2-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]acetate?
The IUPAC name of phenacyl 2-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]acetate (CID 7580682) is phenacyl 2-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]acetate.
What is the SMILES notation for phenacyl 2-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]acetate?
The canonical SMILES for phenacyl 2-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]acetate is COc1cc(C(=O)NCC(=O)OCC(=O)c2ccccc2)ccc1OC(F)F.
What is the InChIKey of phenacyl 2-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]acetate?
The InChIKey is NAKYSFFNFNVMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2NO6/c1-26-16-9-13(7-8-15(16)28-19(20)21)18(25)22-10-17(24)27-11-14(23)12-5-3-2-4-6-12/h2-9,19H,10-11H2,1H3,(H,22,25).
What are the key properties of phenacyl 2-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]acetate?
phenacyl 2-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]acetate has a molecular weight of 393.34 g/mol, XLogP of 2.45, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for phenacyl 2-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]acetate is sourced from PubChem (CID 7580682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).