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

C16H11ClF3NO3 — CID 2440555

IUPACmethyl 4-chloro-2-[[4-(trifluoromethyl)benzoyl]amino]benzoate
SMILESCOC(=O)c1ccc(Cl)cc1NC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H11ClF3NO3/c1-24-15(23)12-7-6-11(17)8-13(12)21-14(22)9-2-4-10(5-3-9)16(18,19)20/h2-8H,1H3,(H,21,22)
InChIKeyAZCWVSUYGYMEKD-UHFFFAOYSA-N
MW357.72 g/mol
LogP4.40
Rot. Bonds3

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

methyl 4-chloro-2-[[4-(trifluoromethyl)benzoyl]amino]benzoate (PubChem CID 2440555) has the molecular formula C16H11ClF3NO3 and a molecular weight of 357.72 g/mol. Its IUPAC name is methyl 4-chloro-2-[[4-(trifluoromethyl)benzoyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-chloro-2-[[4-(trifluoromethyl)benzoyl]amino]benzoate
PubChem CID2440555
Molecular FormulaC16H11ClF3NO3
Molecular Weight357.72 g/mol
Exact Mass357.04
IUPAC Namemethyl 4-chloro-2-[[4-(trifluoromethyl)benzoyl]amino]benzoate
SMILESCOC(=O)c1ccc(Cl)cc1NC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H11ClF3NO3/c1-24-15(23)12-7-6-11(17)8-13(12)21-14(22)9-2-4-10(5-3-9)16(18,19)20/h2-8H,1H3,(H,21,22)
InChIKeyAZCWVSUYGYMEKD-UHFFFAOYSA-N
XLogP4.40
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.72
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-nitro-2-[[4-(trifluoromethyl)benzoyl]amino]benzoate
CID 69206811
N-(2-bromo-5-chlorophenyl)-4-(trifluoromethyl)benzamide
CID 81261644
methyl 2-acetamido-4-chlorobenzoate
CID 2800203
methyl 2-[[3,5-bis(trifluoromethyl)benzoyl]amino]-4-hydroxybenzoate
CID 86597400
methyl 4-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl]benzoate
CID 54787072
dimethyl 2-[(2,5-dichlorobenzoyl)amino]benzene-1,4-dicarboxylate
CID 1279607
methyl 2-[(2,6-dichlorophenyl)carbamoylamino]-4-(trifluoromethyl)benzoate
CID 10525434
methyl 4-[(2,5-dichlorophenyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzoate
CID 5341379
4-chloro-2-[(4-fluorobenzoyl)amino]-N-propan-2-ylbenzamide
CID 24662064
dimethyl 5-[[4-(trifluoromethyl)benzoyl]amino]benzene-1,3-dicarboxylate
CID 4810797
methyl 4-chloro-2-[(3-nitrobenzoyl)amino]benzoate
CID 17409028
(4-chloro-2-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanone
CID 114970683

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-2-[[4-(trifluoromethyl)benzoyl]amino]benzoate?
The IUPAC name of methyl 4-chloro-2-[[4-(trifluoromethyl)benzoyl]amino]benzoate (CID 2440555) is methyl 4-chloro-2-[[4-(trifluoromethyl)benzoyl]amino]benzoate.
What is the SMILES notation for methyl 4-chloro-2-[[4-(trifluoromethyl)benzoyl]amino]benzoate?
The canonical SMILES for methyl 4-chloro-2-[[4-(trifluoromethyl)benzoyl]amino]benzoate is COC(=O)c1ccc(Cl)cc1NC(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of methyl 4-chloro-2-[[4-(trifluoromethyl)benzoyl]amino]benzoate?
The InChIKey is AZCWVSUYGYMEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF3NO3/c1-24-15(23)12-7-6-11(17)8-13(12)21-14(22)9-2-4-10(5-3-9)16(18,19)20/h2-8H,1H3,(H,21,22).
What are the key properties of methyl 4-chloro-2-[[4-(trifluoromethyl)benzoyl]amino]benzoate?
methyl 4-chloro-2-[[4-(trifluoromethyl)benzoyl]amino]benzoate has a molecular weight of 357.72 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-2-[[4-(trifluoromethyl)benzoyl]amino]benzoate is sourced from PubChem (CID 2440555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).