ethyl 3-chloro-4-[[2-(trifluoromethyl)benzoyl]amino]benzoate

C17H13ClF3NO3 — CID 56630518

IUPACethyl 3-chloro-4-[[2-(trifluoromethyl)benzoyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2ccccc2C(F)(F)F)c(Cl)c1
InChIInChI=1S/C17H13ClF3NO3/c1-2-25-16(24)10-7-8-14(13(18)9-10)22-15(23)11-5-3-4-6-12(11)17(19,20)21/h3-9H,2H2,1H3,(H,22,23)
InChIKeyQDIILDQQMBGSNA-UHFFFAOYSA-N
MW371.74 g/mol
LogP4.79
Rot. Bonds4

About ethyl 3-chloro-4-[[2-(trifluoromethyl)benzoyl]amino]benzoate

ethyl 3-chloro-4-[[2-(trifluoromethyl)benzoyl]amino]benzoate (PubChem CID 56630518) has the molecular formula C17H13ClF3NO3 and a molecular weight of 371.74 g/mol. Its IUPAC name is ethyl 3-chloro-4-[[2-(trifluoromethyl)benzoyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 3-chloro-4-[[2-(trifluoromethyl)benzoyl]amino]benzoate
PubChem CID56630518
Molecular FormulaC17H13ClF3NO3
Molecular Weight371.74 g/mol
Exact Mass371.05
IUPAC Nameethyl 3-chloro-4-[[2-(trifluoromethyl)benzoyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2ccccc2C(F)(F)F)c(Cl)c1
InChIInChI=1S/C17H13ClF3NO3/c1-2-25-16(24)10-7-8-14(13(18)9-10)22-15(23)11-5-3-4-6-12(11)17(19,20)21/h3-9H,2H2,1H3,(H,22,23)
InChIKeyQDIILDQQMBGSNA-UHFFFAOYSA-N
XLogP4.79
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.74
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-chloro-4-[[2-fluoro-3-(trifluoromethyl)benzoyl]amino]benzoate
CID 56629235
ethyl 3-chloro-4-[[4-fluoro-2-(trifluoromethyl)benzoyl]amino]benzoate
CID 56617072
ethyl 3-chloro-4-[[3-(trifluoromethyl)benzoyl]amino]benzoate
CID 56632233
ethyl 4-benzamido-3-chlorobenzoate
CID 28634288
ethyl 4-[[2-[2-(aminomethyl)phenyl]benzoyl]amino]-3-chlorobenzoate
CID 174413978
ethyl 4-[[2-(benzenesulfonamido)benzoyl]amino]-3-chlorobenzoate
CID 92679847
ethyl 3-chloro-4-(phenylcarbamothioylamino)benzoate
CID 99954280
ethyl 3-chloro-4-[(4-propoxybenzoyl)amino]benzoate
CID 92680844
ethyl 1-(4-methylphenyl)-6-oxo-4-[[2-(trifluoromethyl)benzoyl]amino]pyridazine-3-carboxylate
CID 16839491
N-[2-chloro-4-(trifluoromethyl)phenyl]-4-ethylbenzamide
CID 17102278
N-[3-methyl-4-[[4-(trifluoromethyl)benzoyl]amino]phenyl]-2-(trifluoromethyl)benzamide
CID 87595403
ethyl 4-(3-benzylsulfanylpropanoylamino)-3-chlorobenzoate
CID 92671649

Frequently Asked Questions

What is the IUPAC name of ethyl 3-chloro-4-[[2-(trifluoromethyl)benzoyl]amino]benzoate?
The IUPAC name of ethyl 3-chloro-4-[[2-(trifluoromethyl)benzoyl]amino]benzoate (CID 56630518) is ethyl 3-chloro-4-[[2-(trifluoromethyl)benzoyl]amino]benzoate.
What is the SMILES notation for ethyl 3-chloro-4-[[2-(trifluoromethyl)benzoyl]amino]benzoate?
The canonical SMILES for ethyl 3-chloro-4-[[2-(trifluoromethyl)benzoyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)c2ccccc2C(F)(F)F)c(Cl)c1.
What is the InChIKey of ethyl 3-chloro-4-[[2-(trifluoromethyl)benzoyl]amino]benzoate?
The InChIKey is QDIILDQQMBGSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClF3NO3/c1-2-25-16(24)10-7-8-14(13(18)9-10)22-15(23)11-5-3-4-6-12(11)17(19,20)21/h3-9H,2H2,1H3,(H,22,23).
What are the key properties of ethyl 3-chloro-4-[[2-(trifluoromethyl)benzoyl]amino]benzoate?
ethyl 3-chloro-4-[[2-(trifluoromethyl)benzoyl]amino]benzoate has a molecular weight of 371.74 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-chloro-4-[[2-(trifluoromethyl)benzoyl]amino]benzoate is sourced from PubChem (CID 56630518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).