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

C17H13ClF3NO3 — CID 56632233

IUPACethyl 3-chloro-4-[[3-(trifluoromethyl)benzoyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2cccc(C(F)(F)F)c2)c(Cl)c1
InChIInChI=1S/C17H13ClF3NO3/c1-2-25-16(24)11-6-7-14(13(18)9-11)22-15(23)10-4-3-5-12(8-10)17(19,20)21/h3-9H,2H2,1H3,(H,22,23)
InChIKeyPHJCDYIMYSHDLF-UHFFFAOYSA-N
MW371.74 g/mol
LogP4.79
Rot. Bonds4

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

ethyl 3-chloro-4-[[3-(trifluoromethyl)benzoyl]amino]benzoate (PubChem CID 56632233) has the molecular formula C17H13ClF3NO3 and a molecular weight of 371.74 g/mol. Its IUPAC name is ethyl 3-chloro-4-[[3-(trifluoromethyl)benzoyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 3-chloro-4-[[3-(trifluoromethyl)benzoyl]amino]benzoate
PubChem CID56632233
Molecular FormulaC17H13ClF3NO3
Molecular Weight371.74 g/mol
Exact Mass371.05
IUPAC Nameethyl 3-chloro-4-[[3-(trifluoromethyl)benzoyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2cccc(C(F)(F)F)c2)c(Cl)c1
InChIInChI=1S/C17H13ClF3NO3/c1-2-25-16(24)11-6-7-14(13(18)9-11)22-15(23)10-4-3-5-12(8-10)17(19,20)21/h3-9H,2H2,1H3,(H,22,23)
InChIKeyPHJCDYIMYSHDLF-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 4-benzamido-3-chlorobenzoate
CID 28634288
ethyl 3-chloro-4-[[2-(trifluoromethyl)benzoyl]amino]benzoate
CID 56630518
ethyl 3-chloro-4-[[2-fluoro-3-(trifluoromethyl)benzoyl]amino]benzoate
CID 56629235
ethyl 2-[2,4-dichloro-5-[[3-(trifluoromethyl)benzoyl]amino]phenoxy]acetate
CID 1479519
ethyl 3-chloro-4-[[4-fluoro-2-(trifluoromethyl)benzoyl]amino]benzoate
CID 56617072
N-[2-chloro-4-(trifluoromethyl)phenyl]-4-ethylbenzamide
CID 17102278
ethyl 5-[[3-(trifluoromethyl)benzoyl]amino]thiadiazole-4-carboxylate
CID 155256709
ethyl 3-chloro-4-[(4-propoxybenzoyl)amino]benzoate
CID 92680844
ethyl 3-[[4-methoxy-3-[3-(trifluoromethyl)anilino]benzoyl]amino]benzoate
CID 54422821
N-(4-benzamido-2,5-diethoxyphenyl)-3-(trifluoromethyl)benzamide
CID 2128081
ethyl 3-[(3-aminobenzoyl)amino]-4-methylbenzoate
CID 154574450
N-(2-fluoro-4-methylphenyl)-3-(trifluoromethyl)benzamide
CID 26522930

Frequently Asked Questions

What is the IUPAC name of ethyl 3-chloro-4-[[3-(trifluoromethyl)benzoyl]amino]benzoate?
The IUPAC name of ethyl 3-chloro-4-[[3-(trifluoromethyl)benzoyl]amino]benzoate (CID 56632233) is ethyl 3-chloro-4-[[3-(trifluoromethyl)benzoyl]amino]benzoate.
What is the SMILES notation for ethyl 3-chloro-4-[[3-(trifluoromethyl)benzoyl]amino]benzoate?
The canonical SMILES for ethyl 3-chloro-4-[[3-(trifluoromethyl)benzoyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)c2cccc(C(F)(F)F)c2)c(Cl)c1.
What is the InChIKey of ethyl 3-chloro-4-[[3-(trifluoromethyl)benzoyl]amino]benzoate?
The InChIKey is PHJCDYIMYSHDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClF3NO3/c1-2-25-16(24)11-6-7-14(13(18)9-11)22-15(23)10-4-3-5-12(8-10)17(19,20)21/h3-9H,2H2,1H3,(H,22,23).
What are the key properties of ethyl 3-chloro-4-[[3-(trifluoromethyl)benzoyl]amino]benzoate?
ethyl 3-chloro-4-[[3-(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-[[3-(trifluoromethyl)benzoyl]amino]benzoate is sourced from PubChem (CID 56632233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).