ethyl 2-[(2-chloro-6-fluorobenzoyl)amino]benzoate

C16H13ClFNO3 — CID 2394461

IUPACethyl 2-[(2-chloro-6-fluorobenzoyl)amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)c1c(F)cccc1Cl
InChIInChI=1S/C16H13ClFNO3/c1-2-22-16(21)10-6-3-4-9-13(10)19-15(20)14-11(17)7-5-8-12(14)18/h3-9H,2H2,1H3,(H,19,20)
InChIKeyDQBJIIXDCHFQFE-UHFFFAOYSA-N
MW321.74 g/mol
LogP3.91
Rot. Bonds4

About ethyl 2-[(2-chloro-6-fluorobenzoyl)amino]benzoate

ethyl 2-[(2-chloro-6-fluorobenzoyl)amino]benzoate (PubChem CID 2394461) has the molecular formula C16H13ClFNO3 and a molecular weight of 321.74 g/mol. Its IUPAC name is ethyl 2-[(2-chloro-6-fluorobenzoyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[(2-chloro-6-fluorobenzoyl)amino]benzoate
PubChem CID2394461
Molecular FormulaC16H13ClFNO3
Molecular Weight321.74 g/mol
Exact Mass321.06
IUPAC Nameethyl 2-[(2-chloro-6-fluorobenzoyl)amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)c1c(F)cccc1Cl
InChIInChI=1S/C16H13ClFNO3/c1-2-22-16(21)10-6-3-4-9-13(10)19-15(20)14-11(17)7-5-8-12(14)18/h3-9H,2H2,1H3,(H,19,20)
InChIKeyDQBJIIXDCHFQFE-UHFFFAOYSA-N
XLogP3.91
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.74
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-chloro-2-[(2,6-dichlorobenzoyl)amino]benzoate
CID 44577383
[2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2,6-dichlorobenzoate
CID 3395817
diethyl 2-[(2-chloro-6-fluorobenzoyl)amino]-5-methylfuran-3,4-dicarboxylate
CID 108739440
ethyl 5-[2-[(2-chloro-6-fluorobenzoyl)amino]benzoyl]oxy-2-methyl-1-phenylindole-3-carboxylate
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CID 7958134
ethyl 2-[(2-chlorobenzenecarbothioyl)amino]benzoate
CID 170842399
[4-[[2-[(2-chloro-6-fluorobenzoyl)amino]phenyl]carbamoyl]phenyl] ethyl carbonate
CID 108931048
[2-(2-methoxycarbonylanilino)-2-oxoethyl] 2-chloro-6-fluorobenzoate
CID 2501220
2-chloro-6-fluoro-N-(2-propoxyphenyl)benzamide
CID 17395083
ethyl 2-[[3-[(2-ethoxycarbonylphenyl)carbamoyl]benzoyl]amino]benzoate
CID 4013454
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CID 18929196
ethyl 2-[[4-(2-chlorophenyl)-4-oxobutanoyl]amino]benzoate
CID 110428348

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-chloro-6-fluorobenzoyl)amino]benzoate?
The IUPAC name of ethyl 2-[(2-chloro-6-fluorobenzoyl)amino]benzoate (CID 2394461) is ethyl 2-[(2-chloro-6-fluorobenzoyl)amino]benzoate.
What is the SMILES notation for ethyl 2-[(2-chloro-6-fluorobenzoyl)amino]benzoate?
The canonical SMILES for ethyl 2-[(2-chloro-6-fluorobenzoyl)amino]benzoate is CCOC(=O)c1ccccc1NC(=O)c1c(F)cccc1Cl.
What is the InChIKey of ethyl 2-[(2-chloro-6-fluorobenzoyl)amino]benzoate?
The InChIKey is DQBJIIXDCHFQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFNO3/c1-2-22-16(21)10-6-3-4-9-13(10)19-15(20)14-11(17)7-5-8-12(14)18/h3-9H,2H2,1H3,(H,19,20).
What are the key properties of ethyl 2-[(2-chloro-6-fluorobenzoyl)amino]benzoate?
ethyl 2-[(2-chloro-6-fluorobenzoyl)amino]benzoate has a molecular weight of 321.74 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-chloro-6-fluorobenzoyl)amino]benzoate is sourced from PubChem (CID 2394461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).