methyl 4-[[3-chloro-4-hydroxy-5-(trifluoromethyl)benzoyl]amino]benzoate

C16H11ClF3NO4 — CID 67041697

IUPACmethyl 4-[[3-chloro-4-hydroxy-5-(trifluoromethyl)benzoyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2cc(Cl)c(O)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C16H11ClF3NO4/c1-25-15(24)8-2-4-10(5-3-8)21-14(23)9-6-11(16(18,19)20)13(22)12(17)7-9/h2-7,22H,1H3,(H,21,23)
InChIKeyMLXNSUNNLBASTJ-UHFFFAOYSA-N
MW373.71 g/mol
LogP4.10
Rot. Bonds3

About methyl 4-[[3-chloro-4-hydroxy-5-(trifluoromethyl)benzoyl]amino]benzoate

methyl 4-[[3-chloro-4-hydroxy-5-(trifluoromethyl)benzoyl]amino]benzoate (PubChem CID 67041697) has the molecular formula C16H11ClF3NO4 and a molecular weight of 373.71 g/mol. Its IUPAC name is methyl 4-[[3-chloro-4-hydroxy-5-(trifluoromethyl)benzoyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[3-chloro-4-hydroxy-5-(trifluoromethyl)benzoyl]amino]benzoate
PubChem CID67041697
Molecular FormulaC16H11ClF3NO4
Molecular Weight373.71 g/mol
Exact Mass373.03
IUPAC Namemethyl 4-[[3-chloro-4-hydroxy-5-(trifluoromethyl)benzoyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2cc(Cl)c(O)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C16H11ClF3NO4/c1-25-15(24)8-2-4-10(5-3-8)21-14(23)9-6-11(16(18,19)20)13(22)12(17)7-9/h2-7,22H,1H3,(H,21,23)
InChIKeyMLXNSUNNLBASTJ-UHFFFAOYSA-N
XLogP4.10
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.71
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-1,1-bis[(2-methylpropan-2-yl)oxy]methanamine;methyl 4-[(3,5-dichloro-4-hydroxybenzoyl)amino]benzoate;methyl 4-[[3,5-dichloro-4-[(2-methylpropan-2-yl)oxy]benzoyl]amino]benzoate
CID 157202413
methyl 4-[(2,6-dichloropyridine-4-carbonyl)amino]benzoate
CID 26098317
4-chloro-N-(4-ethylphenyl)-3-(trifluoromethyl)benzamide
CID 143174015
methyl 3,4-dichloro-5-(trifluoromethyl)benzoate
CID 167314119
methyl 4-[[4-[(4-hydroxyphenyl)carbamoyl]phenyl]carbamoyl]benzoate
CID 3353390
3-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxybenzamide
CID 44871489
methyl 4-[(3,5-dibromo-2,6-dihydroxybenzoyl)amino]benzoate
CID 10160753
methyl 4-[(3-hydroxy-5-methylbenzoyl)amino]benzoate
CID 176550811
methyl 4-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl]benzoate
CID 54787072
methyl 4-[(2-chloro-4-fluorobenzoyl)amino]benzoate
CID 6469488
methyl 4-[(4-chloro-3,5-dinitrobenzoyl)amino]benzoate
CID 4633777
propan-2-yl 4-[(3,5-dichloro-4-methoxybenzoyl)amino]benzoate
CID 17050218

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[3-chloro-4-hydroxy-5-(trifluoromethyl)benzoyl]amino]benzoate?
The IUPAC name of methyl 4-[[3-chloro-4-hydroxy-5-(trifluoromethyl)benzoyl]amino]benzoate (CID 67041697) is methyl 4-[[3-chloro-4-hydroxy-5-(trifluoromethyl)benzoyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[3-chloro-4-hydroxy-5-(trifluoromethyl)benzoyl]amino]benzoate?
The canonical SMILES for methyl 4-[[3-chloro-4-hydroxy-5-(trifluoromethyl)benzoyl]amino]benzoate is COC(=O)c1ccc(NC(=O)c2cc(Cl)c(O)c(C(F)(F)F)c2)cc1.
What is the InChIKey of methyl 4-[[3-chloro-4-hydroxy-5-(trifluoromethyl)benzoyl]amino]benzoate?
The InChIKey is MLXNSUNNLBASTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF3NO4/c1-25-15(24)8-2-4-10(5-3-8)21-14(23)9-6-11(16(18,19)20)13(22)12(17)7-9/h2-7,22H,1H3,(H,21,23).
What are the key properties of methyl 4-[[3-chloro-4-hydroxy-5-(trifluoromethyl)benzoyl]amino]benzoate?
methyl 4-[[3-chloro-4-hydroxy-5-(trifluoromethyl)benzoyl]amino]benzoate has a molecular weight of 373.71 g/mol, XLogP of 4.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[3-chloro-4-hydroxy-5-(trifluoromethyl)benzoyl]amino]benzoate is sourced from PubChem (CID 67041697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).