ethyl 5-[2-[(2-chloro-6-fluorobenzoyl)amino]benzoyl]oxy-2-methyl-1-phenylindole-3-carboxylate

C32H24ClFN2O5 — CID 23995006

IUPACethyl 5-[2-[(2-chloro-6-fluorobenzoyl)amino]benzoyl]oxy-2-methyl-1-phenylindole-3-carboxylate
SMILESCCOC(=O)c1c(C)n(-c2ccccc2)c2ccc(OC(=O)c3ccccc3NC(=O)c3c(F)cccc3Cl)cc12
InChIInChI=1S/C32H24ClFN2O5/c1-3-40-32(39)28-19(2)36(20-10-5-4-6-11-20)27-17-16-21(18-23(27)28)41-31(38)22-12-7-8-15-26(22)35-30(37)29-24(33)13-9-14-25(29)34/h4-18H,3H2,1-2H3,(H,35,37)
InChIKeyXZQFEPDAHLCKCT-UHFFFAOYSA-N
MW571.00 g/mol
LogP7.38
Rot. Bonds7

About ethyl 5-[2-[(2-chloro-6-fluorobenzoyl)amino]benzoyl]oxy-2-methyl-1-phenylindole-3-carboxylate

ethyl 5-[2-[(2-chloro-6-fluorobenzoyl)amino]benzoyl]oxy-2-methyl-1-phenylindole-3-carboxylate (PubChem CID 23995006) has the molecular formula C32H24ClFN2O5 and a molecular weight of 571.00 g/mol. Its IUPAC name is ethyl 5-[2-[(2-chloro-6-fluorobenzoyl)amino]benzoyl]oxy-2-methyl-1-phenylindole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[2-[(2-chloro-6-fluorobenzoyl)amino]benzoyl]oxy-2-methyl-1-phenylindole-3-carboxylate
PubChem CID23995006
Molecular FormulaC32H24ClFN2O5
Molecular Weight571.00 g/mol
Exact Mass570.14
IUPAC Nameethyl 5-[2-[(2-chloro-6-fluorobenzoyl)amino]benzoyl]oxy-2-methyl-1-phenylindole-3-carboxylate
SMILESCCOC(=O)c1c(C)n(-c2ccccc2)c2ccc(OC(=O)c3ccccc3NC(=O)c3c(F)cccc3Cl)cc12
InChIInChI=1S/C32H24ClFN2O5/c1-3-40-32(39)28-19(2)36(20-10-5-4-6-11-20)27-17-16-21(18-23(27)28)41-31(38)22-12-7-8-15-26(22)35-30(37)29-24(33)13-9-14-25(29)34/h4-18H,3H2,1-2H3,(H,35,37)
InChIKeyXZQFEPDAHLCKCT-UHFFFAOYSA-N
XLogP7.38
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.00
LogP ≤ 57.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-methyl-5-(2-methylbenzoyl)oxy-1-phenylindole-3-carboxylate
CID 3931042
ethyl 2-[(2-chloro-6-fluorobenzoyl)amino]benzoate
CID 2394461
ethyl 2-methyl-1-phenyl-5-[2-(trifluoromethyl)benzoyl]oxyindole-3-carboxylate
CID 5160581
ethyl 1-benzyl-5-(2-fluorobenzoyl)oxy-2-methylindole-3-carboxylate
CID 1224160
ethyl 5-(2,4-dinitrobenzoyl)oxy-2-methyl-1-phenylindole-3-carboxylate
CID 5085968
[4-[[2-[(2-chloro-6-fluorobenzoyl)amino]phenyl]carbamoyl]phenyl] ethyl carbonate
CID 108931048
ethyl 1-(3-chlorophenyl)-2-methyl-5-phenacyloxyindole-3-carboxylate
CID 23992877
ethyl 1-(4-methoxyphenyl)-2-methyl-5-(2-phenoxyethoxy)indole-3-carboxylate
CID 2076757
diethyl 2-[(2-chloro-6-fluorobenzoyl)amino]-5-methylfuran-3,4-dicarboxylate
CID 108739440
ethyl 4-chloro-2-[(2,6-dichlorobenzoyl)amino]benzoate
CID 44577383
[2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2,6-dichlorobenzoate
CID 3395817
[2-(2-methoxycarbonylanilino)-2-oxoethyl] 2-chloro-6-fluorobenzoate
CID 2501220

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[2-[(2-chloro-6-fluorobenzoyl)amino]benzoyl]oxy-2-methyl-1-phenylindole-3-carboxylate?
The IUPAC name of ethyl 5-[2-[(2-chloro-6-fluorobenzoyl)amino]benzoyl]oxy-2-methyl-1-phenylindole-3-carboxylate (CID 23995006) is ethyl 5-[2-[(2-chloro-6-fluorobenzoyl)amino]benzoyl]oxy-2-methyl-1-phenylindole-3-carboxylate.
What is the SMILES notation for ethyl 5-[2-[(2-chloro-6-fluorobenzoyl)amino]benzoyl]oxy-2-methyl-1-phenylindole-3-carboxylate?
The canonical SMILES for ethyl 5-[2-[(2-chloro-6-fluorobenzoyl)amino]benzoyl]oxy-2-methyl-1-phenylindole-3-carboxylate is CCOC(=O)c1c(C)n(-c2ccccc2)c2ccc(OC(=O)c3ccccc3NC(=O)c3c(F)cccc3Cl)cc12.
What is the InChIKey of ethyl 5-[2-[(2-chloro-6-fluorobenzoyl)amino]benzoyl]oxy-2-methyl-1-phenylindole-3-carboxylate?
The InChIKey is XZQFEPDAHLCKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24ClFN2O5/c1-3-40-32(39)28-19(2)36(20-10-5-4-6-11-20)27-17-16-21(18-23(27)28)41-31(38)22-12-7-8-15-26(22)35-30(37)29-24(33)13-9-14-25(29)34/h4-18H,3H2,1-2H3,(H,35,37).
What are the key properties of ethyl 5-[2-[(2-chloro-6-fluorobenzoyl)amino]benzoyl]oxy-2-methyl-1-phenylindole-3-carboxylate?
ethyl 5-[2-[(2-chloro-6-fluorobenzoyl)amino]benzoyl]oxy-2-methyl-1-phenylindole-3-carboxylate has a molecular weight of 571.00 g/mol, XLogP of 7.38, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[2-[(2-chloro-6-fluorobenzoyl)amino]benzoyl]oxy-2-methyl-1-phenylindole-3-carboxylate is sourced from PubChem (CID 23995006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).