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

C18H18FNO6 — CID 27845329

IUPACmethyl 2-[(3-fluoro-4-methoxybenzoyl)amino]-4,5-dimethoxybenzoate
SMILESCOC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(OC)c(F)c1
InChIInChI=1S/C18H18FNO6/c1-23-14-6-5-10(7-12(14)19)17(21)20-13-9-16(25-3)15(24-2)8-11(13)18(22)26-4/h5-9H,1-4H3,(H,20,21)
InChIKeyHURUTAWLTHSQSH-UHFFFAOYSA-N
MW363.34 g/mol
LogP2.89
Rot. Bonds6

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

methyl 2-[(3-fluoro-4-methoxybenzoyl)amino]-4,5-dimethoxybenzoate (PubChem CID 27845329) has the molecular formula C18H18FNO6 and a molecular weight of 363.34 g/mol. Its IUPAC name is methyl 2-[(3-fluoro-4-methoxybenzoyl)amino]-4,5-dimethoxybenzoate.

Molecular Properties

Compound Namemethyl 2-[(3-fluoro-4-methoxybenzoyl)amino]-4,5-dimethoxybenzoate
PubChem CID27845329
Molecular FormulaC18H18FNO6
Molecular Weight363.34 g/mol
Exact Mass363.11
IUPAC Namemethyl 2-[(3-fluoro-4-methoxybenzoyl)amino]-4,5-dimethoxybenzoate
SMILESCOC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(OC)c(F)c1
InChIInChI=1S/C18H18FNO6/c1-23-14-6-5-10(7-12(14)19)17(21)20-13-9-16(25-3)15(24-2)8-11(13)18(22)26-4/h5-9H,1-4H3,(H,20,21)
InChIKeyHURUTAWLTHSQSH-UHFFFAOYSA-N
XLogP2.89
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.34
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[(3,4-difluorobenzoyl)amino]-4,5-dimethoxybenzoate
CID 17428347
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
N-(2-carbamothioylphenyl)-3-fluoro-4-methoxybenzamide
CID 62919051
2-[(4-fluorobenzoyl)amino]-4,5-dimethoxy-N-methylbenzamide
CID 34366934
N-(4-amino-2-chlorophenyl)-3-fluoro-4-methoxybenzamide
CID 62918843
ethyl 3-[(3-fluoro-4-methoxybenzoyl)amino]-4-methylbenzoate
CID 100612781
N-(2-acetyl-3,5-dimethoxyphenyl)-3-fluoro-4-methoxybenzamide
CID 11233297
N-(2,4-difluorophenyl)-3,4-dimethoxybenzamide
CID 966752
N-(4-aminophenyl)-3-fluoro-4-methoxybenzamide
CID 55125214
N-(3,5-dichlorophenyl)-3-fluoro-4-methoxybenzamide
CID 27844181

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-fluoro-4-methoxybenzoyl)amino]-4,5-dimethoxybenzoate?
The IUPAC name of methyl 2-[(3-fluoro-4-methoxybenzoyl)amino]-4,5-dimethoxybenzoate (CID 27845329) is methyl 2-[(3-fluoro-4-methoxybenzoyl)amino]-4,5-dimethoxybenzoate.
What is the SMILES notation for methyl 2-[(3-fluoro-4-methoxybenzoyl)amino]-4,5-dimethoxybenzoate?
The canonical SMILES for methyl 2-[(3-fluoro-4-methoxybenzoyl)amino]-4,5-dimethoxybenzoate is COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(OC)c(F)c1.
What is the InChIKey of methyl 2-[(3-fluoro-4-methoxybenzoyl)amino]-4,5-dimethoxybenzoate?
The InChIKey is HURUTAWLTHSQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO6/c1-23-14-6-5-10(7-12(14)19)17(21)20-13-9-16(25-3)15(24-2)8-11(13)18(22)26-4/h5-9H,1-4H3,(H,20,21).
What are the key properties of methyl 2-[(3-fluoro-4-methoxybenzoyl)amino]-4,5-dimethoxybenzoate?
methyl 2-[(3-fluoro-4-methoxybenzoyl)amino]-4,5-dimethoxybenzoate has a molecular weight of 363.34 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-fluoro-4-methoxybenzoyl)amino]-4,5-dimethoxybenzoate is sourced from PubChem (CID 27845329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).