methyl 4-(difluoromethoxy)-2-[(3,5-dimethoxybenzoyl)amino]-5-methoxybenzoate

C19H19F2NO7 — CID 55518993

IUPACmethyl 4-(difluoromethoxy)-2-[(3,5-dimethoxybenzoyl)amino]-5-methoxybenzoate
SMILESCOC(=O)c1cc(OC)c(OC(F)F)cc1NC(=O)c1cc(OC)cc(OC)c1
InChIInChI=1S/C19H19F2NO7/c1-25-11-5-10(6-12(7-11)26-2)17(23)22-14-9-16(29-19(20)21)15(27-3)8-13(14)18(24)28-4/h5-9,19H,1-4H3,(H,22,23)
InChIKeyQPBCBTPNEKJATL-UHFFFAOYSA-N
MW411.36 g/mol
LogP3.35
Rot. Bonds8

About methyl 4-(difluoromethoxy)-2-[(3,5-dimethoxybenzoyl)amino]-5-methoxybenzoate

methyl 4-(difluoromethoxy)-2-[(3,5-dimethoxybenzoyl)amino]-5-methoxybenzoate (PubChem CID 55518993) has the molecular formula C19H19F2NO7 and a molecular weight of 411.36 g/mol. Its IUPAC name is methyl 4-(difluoromethoxy)-2-[(3,5-dimethoxybenzoyl)amino]-5-methoxybenzoate.

Molecular Properties

Compound Namemethyl 4-(difluoromethoxy)-2-[(3,5-dimethoxybenzoyl)amino]-5-methoxybenzoate
PubChem CID55518993
Molecular FormulaC19H19F2NO7
Molecular Weight411.36 g/mol
Exact Mass411.11
IUPAC Namemethyl 4-(difluoromethoxy)-2-[(3,5-dimethoxybenzoyl)amino]-5-methoxybenzoate
SMILESCOC(=O)c1cc(OC)c(OC(F)F)cc1NC(=O)c1cc(OC)cc(OC)c1
InChIInChI=1S/C19H19F2NO7/c1-25-11-5-10(6-12(7-11)26-2)17(23)22-14-9-16(29-19(20)21)15(27-3)8-13(14)18(24)28-4/h5-9,19H,1-4H3,(H,22,23)
InChIKeyQPBCBTPNEKJATL-UHFFFAOYSA-N
XLogP3.35
TPSA92.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.36
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 4-(difluoromethoxy)-5-methoxy-2-[[4-(propan-2-ylcarbamoylamino)benzoyl]amino]benzoate
CID 55913127
methyl 2-[(2,5-difluorobenzoyl)amino]-4-(difluoromethoxy)-5-methoxybenzoate
CID 55519622
methyl 4-(difluoromethoxy)-5-methoxy-2-(oxane-4-carbonylamino)benzoate
CID 52555320
methyl 2-[(3-fluoro-4-methoxybenzoyl)amino]-4,5-dimethoxybenzoate
CID 27845329
methyl 2-[(3,4-difluorobenzoyl)amino]-4,5-dimethoxybenzoate
CID 17428347
methyl 4-(difluoromethoxy)-5-methoxy-2-[(3-methyl-4-oxophthalazine-1-carbonyl)amino]benzoate
CID 55519315
methyl 4-(difluoromethoxy)-5-methoxy-2-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]benzoate
CID 55520028
methyl 2-[(3-iodobenzoyl)amino]-4,5-dimethoxybenzoate
CID 26176939
methyl 2-[3-(4-chlorophenyl)sulfanylpropanoylamino]-4-(difluoromethoxy)-5-methoxybenzoate
CID 55519103
N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-3,5-dimethoxybenzamide
CID 16613969
N-[2-(difluoromethoxy)phenyl]-2,4,5-trimethoxybenzamide
CID 17394633
methyl 4,5-dimethoxy-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)benzoate
CID 18876261

Frequently Asked Questions

What is the IUPAC name of methyl 4-(difluoromethoxy)-2-[(3,5-dimethoxybenzoyl)amino]-5-methoxybenzoate?
The IUPAC name of methyl 4-(difluoromethoxy)-2-[(3,5-dimethoxybenzoyl)amino]-5-methoxybenzoate (CID 55518993) is methyl 4-(difluoromethoxy)-2-[(3,5-dimethoxybenzoyl)amino]-5-methoxybenzoate.
What is the SMILES notation for methyl 4-(difluoromethoxy)-2-[(3,5-dimethoxybenzoyl)amino]-5-methoxybenzoate?
The canonical SMILES for methyl 4-(difluoromethoxy)-2-[(3,5-dimethoxybenzoyl)amino]-5-methoxybenzoate is COC(=O)c1cc(OC)c(OC(F)F)cc1NC(=O)c1cc(OC)cc(OC)c1.
What is the InChIKey of methyl 4-(difluoromethoxy)-2-[(3,5-dimethoxybenzoyl)amino]-5-methoxybenzoate?
The InChIKey is QPBCBTPNEKJATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2NO7/c1-25-11-5-10(6-12(7-11)26-2)17(23)22-14-9-16(29-19(20)21)15(27-3)8-13(14)18(24)28-4/h5-9,19H,1-4H3,(H,22,23).
What are the key properties of methyl 4-(difluoromethoxy)-2-[(3,5-dimethoxybenzoyl)amino]-5-methoxybenzoate?
methyl 4-(difluoromethoxy)-2-[(3,5-dimethoxybenzoyl)amino]-5-methoxybenzoate has a molecular weight of 411.36 g/mol, XLogP of 3.35, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(difluoromethoxy)-2-[(3,5-dimethoxybenzoyl)amino]-5-methoxybenzoate is sourced from PubChem (CID 55518993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).