methyl 2-[(2-chloro-4-fluorobenzoyl)amino]benzoate

C15H11ClFNO3 — CID 17418027

IUPACmethyl 2-[(2-chloro-4-fluorobenzoyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C15H11ClFNO3/c1-21-15(20)11-4-2-3-5-13(11)18-14(19)10-7-6-9(17)8-12(10)16/h2-8H,1H3,(H,18,19)
InChIKeyIFTJUOWBPAEPAB-UHFFFAOYSA-N
MW307.71 g/mol
LogP3.52
Rot. Bonds3

About methyl 2-[(2-chloro-4-fluorobenzoyl)amino]benzoate

methyl 2-[(2-chloro-4-fluorobenzoyl)amino]benzoate (PubChem CID 17418027) has the molecular formula C15H11ClFNO3 and a molecular weight of 307.71 g/mol. Its IUPAC name is methyl 2-[(2-chloro-4-fluorobenzoyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(2-chloro-4-fluorobenzoyl)amino]benzoate
PubChem CID17418027
Molecular FormulaC15H11ClFNO3
Molecular Weight307.71 g/mol
Exact Mass307.04
IUPAC Namemethyl 2-[(2-chloro-4-fluorobenzoyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C15H11ClFNO3/c1-21-15(20)11-4-2-3-5-13(11)18-14(19)10-7-6-9(17)8-12(10)16/h2-8H,1H3,(H,18,19)
InChIKeyIFTJUOWBPAEPAB-UHFFFAOYSA-N
XLogP3.52
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.71
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(2-amino-4-fluorobenzoyl)amino]benzoate
CID 63109743
methyl 2-chloro-5-[(2-chloro-4-fluorobenzoyl)amino]benzoate
CID 38236031
2-chloro-N-(2-ethoxyphenyl)-4-fluorobenzamide
CID 2591172
methyl 3-[(2-chloro-4-fluorobenzoyl)amino]thiophene-2-carboxylate
CID 6470591
methyl 4-[(2-chloro-4-fluorobenzoyl)amino]benzoate
CID 6469488
2-chloro-4-fluoro-N-naphthalen-1-ylbenzamide
CID 26087324
N-(3-benzamido-2-methylphenyl)-2-chloro-4-fluorobenzamide
CID 55900045
methyl 2-[(2-bromo-4-chlorobenzoyl)amino]benzoate
CID 103763170
2-chloro-4-fluoro-N-(4-fluoro-2-methylphenyl)benzamide
CID 6468797
methyl 2-[(7-fluoro-2-methylquinoline-3-carbonyl)amino]benzoate
CID 18126786
2-chloro-N-(2,5-difluorophenyl)-4-fluorobenzamide
CID 26361023
methyl 2-[(5-chloronaphthalene-1-carbonyl)amino]benzoate
CID 17102102

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-chloro-4-fluorobenzoyl)amino]benzoate?
The IUPAC name of methyl 2-[(2-chloro-4-fluorobenzoyl)amino]benzoate (CID 17418027) is methyl 2-[(2-chloro-4-fluorobenzoyl)amino]benzoate.
What is the SMILES notation for methyl 2-[(2-chloro-4-fluorobenzoyl)amino]benzoate?
The canonical SMILES for methyl 2-[(2-chloro-4-fluorobenzoyl)amino]benzoate is COC(=O)c1ccccc1NC(=O)c1ccc(F)cc1Cl.
What is the InChIKey of methyl 2-[(2-chloro-4-fluorobenzoyl)amino]benzoate?
The InChIKey is IFTJUOWBPAEPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFNO3/c1-21-15(20)11-4-2-3-5-13(11)18-14(19)10-7-6-9(17)8-12(10)16/h2-8H,1H3,(H,18,19).
What are the key properties of methyl 2-[(2-chloro-4-fluorobenzoyl)amino]benzoate?
methyl 2-[(2-chloro-4-fluorobenzoyl)amino]benzoate has a molecular weight of 307.71 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-chloro-4-fluorobenzoyl)amino]benzoate is sourced from PubChem (CID 17418027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).