methyl 2-[(3,4-difluorobenzoyl)amino]-4,5-dimethoxybenzoate

C17H15F2NO5 — CID 17428347

IUPACmethyl 2-[(3,4-difluorobenzoyl)amino]-4,5-dimethoxybenzoate
SMILESCOC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C17H15F2NO5/c1-23-14-7-10(17(22)25-3)13(8-15(14)24-2)20-16(21)9-4-5-11(18)12(19)6-9/h4-8H,1-3H3,(H,20,21)
InChIKeyFUBALEWMRWSHON-UHFFFAOYSA-N
MW351.31 g/mol
LogP3.02
Rot. Bonds5

About methyl 2-[(3,4-difluorobenzoyl)amino]-4,5-dimethoxybenzoate

methyl 2-[(3,4-difluorobenzoyl)amino]-4,5-dimethoxybenzoate (PubChem CID 17428347) has the molecular formula C17H15F2NO5 and a molecular weight of 351.31 g/mol. Its IUPAC name is methyl 2-[(3,4-difluorobenzoyl)amino]-4,5-dimethoxybenzoate.

Molecular Properties

Compound Namemethyl 2-[(3,4-difluorobenzoyl)amino]-4,5-dimethoxybenzoate
PubChem CID17428347
Molecular FormulaC17H15F2NO5
Molecular Weight351.31 g/mol
Exact Mass351.09
IUPAC Namemethyl 2-[(3,4-difluorobenzoyl)amino]-4,5-dimethoxybenzoate
SMILESCOC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C17H15F2NO5/c1-23-14-7-10(17(22)25-3)13(8-15(14)24-2)20-16(21)9-4-5-11(18)12(19)6-9/h4-8H,1-3H3,(H,20,21)
InChIKeyFUBALEWMRWSHON-UHFFFAOYSA-N
XLogP3.02
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.31
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(3-fluoro-4-methoxybenzoyl)amino]-4,5-dimethoxybenzoate
CID 27845329
methyl 2-[(3-iodobenzoyl)amino]-4,5-dimethoxybenzoate
CID 26176939
methyl 4,5-dimethoxy-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)benzoate
CID 18876261
3,4-dimethoxy-N-(2,3,4-trifluorophenyl)benzamide
CID 4879673
4-chloro-N-(2-fluoro-4,5-dimethoxyphenyl)benzamide
CID 56782948
methyl 2-[(2,5-difluorobenzoyl)amino]-4-(difluoromethoxy)-5-methoxybenzoate
CID 55519622
2-[(4-fluorobenzoyl)amino]-4,5-dimethoxy-N-methylbenzamide
CID 34366934
N-(4-cyano-2-methoxyphenyl)-3,4-difluorobenzamide
CID 104848992
N-[4-(3,4-dimethoxyanilino)phenyl]-3,4-difluorobenzamide
CID 112988010
methyl 4-(difluoromethoxy)-2-[(3,5-dimethoxybenzoyl)amino]-5-methoxybenzoate
CID 55518993
methyl 4,5-dimethoxy-2-[[(2S)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carbonyl]amino]benzoate
CID 26176710
methyl 2-fluoro-4,5-dimethoxybenzoate
CID 86155175

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3,4-difluorobenzoyl)amino]-4,5-dimethoxybenzoate?
The IUPAC name of methyl 2-[(3,4-difluorobenzoyl)amino]-4,5-dimethoxybenzoate (CID 17428347) is methyl 2-[(3,4-difluorobenzoyl)amino]-4,5-dimethoxybenzoate.
What is the SMILES notation for methyl 2-[(3,4-difluorobenzoyl)amino]-4,5-dimethoxybenzoate?
The canonical SMILES for methyl 2-[(3,4-difluorobenzoyl)amino]-4,5-dimethoxybenzoate is COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(F)c(F)c1.
What is the InChIKey of methyl 2-[(3,4-difluorobenzoyl)amino]-4,5-dimethoxybenzoate?
The InChIKey is FUBALEWMRWSHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2NO5/c1-23-14-7-10(17(22)25-3)13(8-15(14)24-2)20-16(21)9-4-5-11(18)12(19)6-9/h4-8H,1-3H3,(H,20,21).
What are the key properties of methyl 2-[(3,4-difluorobenzoyl)amino]-4,5-dimethoxybenzoate?
methyl 2-[(3,4-difluorobenzoyl)amino]-4,5-dimethoxybenzoate has a molecular weight of 351.31 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3,4-difluorobenzoyl)amino]-4,5-dimethoxybenzoate is sourced from PubChem (CID 17428347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).