methyl 2-[[2-[4-chloro-3-(trifluoromethyl)anilino]acetyl]amino]benzoate

C17H14ClF3N2O3 — CID 9101546

IUPACmethyl 2-[[2-[4-chloro-3-(trifluoromethyl)anilino]acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)CNc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C17H14ClF3N2O3/c1-26-16(25)11-4-2-3-5-14(11)23-15(24)9-22-10-6-7-13(18)12(8-10)17(19,20)21/h2-8,22H,9H2,1H3,(H,23,24)
InChIKeyINWMUUQMSADMFV-UHFFFAOYSA-N
MW386.76 g/mol
LogP4.20
Rot. Bonds5

About methyl 2-[[2-[4-chloro-3-(trifluoromethyl)anilino]acetyl]amino]benzoate

methyl 2-[[2-[4-chloro-3-(trifluoromethyl)anilino]acetyl]amino]benzoate (PubChem CID 9101546) has the molecular formula C17H14ClF3N2O3 and a molecular weight of 386.76 g/mol. Its IUPAC name is methyl 2-[[2-[4-chloro-3-(trifluoromethyl)anilino]acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-[4-chloro-3-(trifluoromethyl)anilino]acetyl]amino]benzoate
PubChem CID9101546
Molecular FormulaC17H14ClF3N2O3
Molecular Weight386.76 g/mol
Exact Mass386.06
IUPAC Namemethyl 2-[[2-[4-chloro-3-(trifluoromethyl)anilino]acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)CNc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C17H14ClF3N2O3/c1-26-16(25)11-4-2-3-5-14(11)23-15(24)9-22-10-6-7-13(18)12(8-10)17(19,20)21/h2-8,22H,9H2,1H3,(H,23,24)
InChIKeyINWMUUQMSADMFV-UHFFFAOYSA-N
XLogP4.20
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.76
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 2-[[2-[4-chloro-3-(trifluoromethyl)anilino]acetyl]amino]benzoate with MolForge

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Related Compounds

methyl 2-chloro-5-[[2-(2-fluoroanilino)-2-oxoethyl]amino]benzoate
CID 37230186
2-[4-chloro-3-(trifluoromethyl)anilino]-N-(2-cyanophenyl)acetamide
CID 2532266
methyl 2-[[2-[3-chloro-4-(difluoromethoxy)anilino]acetyl]amino]benzoate
CID 9103322
N-(2-acetylphenyl)-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide
CID 16580969
2-[4-chloro-3-(trifluoromethyl)anilino]-N-(2,5-dimethoxyphenyl)acetamide
CID 26438641
methyl 2-[[2-(2,5-dichloroanilino)-2-oxoethyl]amino]benzoate
CID 55434529
2-[4-chloro-3-(trifluoromethyl)anilino]-N-(4-ethylphenyl)acetamide
CID 109007711
N-(3-chloro-4-methoxyphenyl)-2-[4-chloro-3-(trifluoromethyl)anilino]acetamide
CID 109008853
2-(3-chloro-4-methoxyanilino)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 109008828
methyl 2-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]amino]benzoate
CID 37471922
2-[4-chloro-3-(trifluoromethyl)anilino]-N-(4-fluorophenyl)acetamide
CID 26438653
2-[4-chloro-3-(trifluoromethyl)anilino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 109009821

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[4-chloro-3-(trifluoromethyl)anilino]acetyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-[4-chloro-3-(trifluoromethyl)anilino]acetyl]amino]benzoate (CID 9101546) is methyl 2-[[2-[4-chloro-3-(trifluoromethyl)anilino]acetyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-[4-chloro-3-(trifluoromethyl)anilino]acetyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-[4-chloro-3-(trifluoromethyl)anilino]acetyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)CNc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of methyl 2-[[2-[4-chloro-3-(trifluoromethyl)anilino]acetyl]amino]benzoate?
The InChIKey is INWMUUQMSADMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF3N2O3/c1-26-16(25)11-4-2-3-5-14(11)23-15(24)9-22-10-6-7-13(18)12(8-10)17(19,20)21/h2-8,22H,9H2,1H3,(H,23,24).
What are the key properties of methyl 2-[[2-[4-chloro-3-(trifluoromethyl)anilino]acetyl]amino]benzoate?
methyl 2-[[2-[4-chloro-3-(trifluoromethyl)anilino]acetyl]amino]benzoate has a molecular weight of 386.76 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[4-chloro-3-(trifluoromethyl)anilino]acetyl]amino]benzoate is sourced from PubChem (CID 9101546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).