methyl 4-methyl-3-[(2,3,4,5-tetrafluorobenzoyl)amino]benzoate

C16H11F4NO3 — CID 7920475

IUPACmethyl 4-methyl-3-[(2,3,4,5-tetrafluorobenzoyl)amino]benzoate
SMILESCOC(=O)c1ccc(C)c(NC(=O)c2cc(F)c(F)c(F)c2F)c1
InChIInChI=1S/C16H11F4NO3/c1-7-3-4-8(16(23)24-2)5-11(7)21-15(22)9-6-10(17)13(19)14(20)12(9)18/h3-6H,1-2H3,(H,21,22)
InChIKeyUDNJWKCZRLYYLD-UHFFFAOYSA-N
MW341.26 g/mol
LogP3.59
Rot. Bonds3

About methyl 4-methyl-3-[(2,3,4,5-tetrafluorobenzoyl)amino]benzoate

methyl 4-methyl-3-[(2,3,4,5-tetrafluorobenzoyl)amino]benzoate (PubChem CID 7920475) has the molecular formula C16H11F4NO3 and a molecular weight of 341.26 g/mol. Its IUPAC name is methyl 4-methyl-3-[(2,3,4,5-tetrafluorobenzoyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4-methyl-3-[(2,3,4,5-tetrafluorobenzoyl)amino]benzoate
PubChem CID7920475
Molecular FormulaC16H11F4NO3
Molecular Weight341.26 g/mol
Exact Mass341.07
IUPAC Namemethyl 4-methyl-3-[(2,3,4,5-tetrafluorobenzoyl)amino]benzoate
SMILESCOC(=O)c1ccc(C)c(NC(=O)c2cc(F)c(F)c(F)c2F)c1
InChIInChI=1S/C16H11F4NO3/c1-7-3-4-8(16(23)24-2)5-11(7)21-15(22)9-6-10(17)13(19)14(20)12(9)18/h3-6H,1-2H3,(H,21,22)
InChIKeyUDNJWKCZRLYYLD-UHFFFAOYSA-N
XLogP3.59
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.26
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[(3,5-difluorobenzoyl)amino]-4-methylbenzoate
CID 8919868
methyl 3-[(4-cyano-2-fluorobenzoyl)amino]-4-methylbenzoate
CID 2992050
methyl 3-[(3-methoxy-4-methylbenzoyl)amino]-4-methylbenzoate
CID 16604939
methyl 3-[(6-fluoropyridine-3-carbonyl)amino]-4-methylbenzoate
CID 63972775
methyl 3-[(2-bromofuran-3-carbonyl)amino]-4-methylbenzoate
CID 106852729
methyl 3-(methoxycarbonylamino)-4-methylbenzoate
CID 17172948
methyl 4-methyl-3-[(2,4,6-trimethylbenzoyl)amino]benzoate
CID 9439805
2,3,4,5-tetrafluoro-N-(4-fluoro-2-methylphenyl)benzamide
CID 2397902
methyl 3-[(4-carbamoylbenzoyl)amino]-4-methylbenzoate
CID 30846823
dimethyl 2-[(3,4-dimethylbenzoyl)amino]benzene-1,4-dicarboxylate
CID 4228000
methyl 3-[(3,5-dimethoxybenzoyl)amino]-4-methylbenzoate
CID 967197
methyl 4-methyl-3-(pyridine-4-carbonylamino)benzoate
CID 737265

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-3-[(2,3,4,5-tetrafluorobenzoyl)amino]benzoate?
The IUPAC name of methyl 4-methyl-3-[(2,3,4,5-tetrafluorobenzoyl)amino]benzoate (CID 7920475) is methyl 4-methyl-3-[(2,3,4,5-tetrafluorobenzoyl)amino]benzoate.
What is the SMILES notation for methyl 4-methyl-3-[(2,3,4,5-tetrafluorobenzoyl)amino]benzoate?
The canonical SMILES for methyl 4-methyl-3-[(2,3,4,5-tetrafluorobenzoyl)amino]benzoate is COC(=O)c1ccc(C)c(NC(=O)c2cc(F)c(F)c(F)c2F)c1.
What is the InChIKey of methyl 4-methyl-3-[(2,3,4,5-tetrafluorobenzoyl)amino]benzoate?
The InChIKey is UDNJWKCZRLYYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F4NO3/c1-7-3-4-8(16(23)24-2)5-11(7)21-15(22)9-6-10(17)13(19)14(20)12(9)18/h3-6H,1-2H3,(H,21,22).
What are the key properties of methyl 4-methyl-3-[(2,3,4,5-tetrafluorobenzoyl)amino]benzoate?
methyl 4-methyl-3-[(2,3,4,5-tetrafluorobenzoyl)amino]benzoate has a molecular weight of 341.26 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-3-[(2,3,4,5-tetrafluorobenzoyl)amino]benzoate is sourced from PubChem (CID 7920475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).