methyl 2-[[3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzoyl]amino]acetate

C15H17F2NO5 — CID 175497729

IUPACmethyl 2-[[3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzoyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1ccc(OC(F)F)c(OCC2CC2)c1
InChIInChI=1S/C15H17F2NO5/c1-21-13(19)7-18-14(20)10-4-5-11(23-15(16)17)12(6-10)22-8-9-2-3-9/h4-6,9,15H,2-3,7-8H2,1H3,(H,18,20)
InChIKeyUXZOIUSCRJIUAO-UHFFFAOYSA-N
MW329.30 g/mol
LogP1.98
Rot. Bonds8

About methyl 2-[[3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzoyl]amino]acetate

methyl 2-[[3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzoyl]amino]acetate (PubChem CID 175497729) has the molecular formula C15H17F2NO5 and a molecular weight of 329.30 g/mol. Its IUPAC name is methyl 2-[[3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzoyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzoyl]amino]acetate
PubChem CID175497729
Molecular FormulaC15H17F2NO5
Molecular Weight329.30 g/mol
Exact Mass329.11
IUPAC Namemethyl 2-[[3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzoyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1ccc(OC(F)F)c(OCC2CC2)c1
InChIInChI=1S/C15H17F2NO5/c1-21-13(19)7-18-14(20)10-4-5-11(23-15(16)17)12(6-10)22-8-9-2-3-9/h4-6,9,15H,2-3,7-8H2,1H3,(H,18,20)
InChIKeyUXZOIUSCRJIUAO-UHFFFAOYSA-N
XLogP1.98
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.30
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[3-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]benzoyl]amino]acetate
CID 55727946
dimethyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]heptanedioate
CID 18973702
[(1S)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3,5-dichloro-1-hydroxypyridin-1-ium-4-yl)ethyl] 2-[(4-methoxy-3-methylsulfonyloxybenzoyl)amino]acetate
CID 90160974
N-[2-(cycloheptylamino)-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 9217777
sodium;3-(cyclopropylmethoxy)-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)benzamide;hydroxide
CID 137440562
3-(cyclopropylmethoxy)-4-(difluoromethoxy)-N-[(3S)-6-oxopiperidin-3-yl]benzamide
CID 10473302
4-(difluoromethoxy)-3-[(2,2,3,3-tetradeuteriocyclopropyl)methoxy]benzoic acid
CID 71315100
methyl 2-[(2S)-4-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrrolidin-2-yl]acetate
CID 175174613
N-(3-chloro-5-iodo-4-pyridinyl)-3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzamide
CID 70344985
4-(difluoromethoxy)-N-(2-hydroxyethyl)-3-methoxybenzamide
CID 78783270
phenacyl 2-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]acetate
CID 7580682
[2-oxo-2-(propylamino)ethyl] 2-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]acetate
CID 7580652

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzoyl]amino]acetate?
The IUPAC name of methyl 2-[[3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzoyl]amino]acetate (CID 175497729) is methyl 2-[[3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzoyl]amino]acetate.
What is the SMILES notation for methyl 2-[[3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzoyl]amino]acetate?
The canonical SMILES for methyl 2-[[3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzoyl]amino]acetate is COC(=O)CNC(=O)c1ccc(OC(F)F)c(OCC2CC2)c1.
What is the InChIKey of methyl 2-[[3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzoyl]amino]acetate?
The InChIKey is UXZOIUSCRJIUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2NO5/c1-21-13(19)7-18-14(20)10-4-5-11(23-15(16)17)12(6-10)22-8-9-2-3-9/h4-6,9,15H,2-3,7-8H2,1H3,(H,18,20).
What are the key properties of methyl 2-[[3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzoyl]amino]acetate?
methyl 2-[[3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzoyl]amino]acetate has a molecular weight of 329.30 g/mol, XLogP of 1.98, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzoyl]amino]acetate is sourced from PubChem (CID 175497729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).