methyl 2-[[3,5-bis(trifluoromethyl)benzoyl]amino]-4-hydroxybenzoate

C17H11F6NO4 — CID 86597400

IUPACmethyl 2-[[3,5-bis(trifluoromethyl)benzoyl]amino]-4-hydroxybenzoate
SMILESCOC(=O)c1ccc(O)cc1NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C17H11F6NO4/c1-28-15(27)12-3-2-11(25)7-13(12)24-14(26)8-4-9(16(18,19)20)6-10(5-8)17(21,22)23/h2-7,25H,1H3,(H,24,26)
InChIKeyURQZBAOGAWEGSE-UHFFFAOYSA-N
MW407.27 g/mol
LogP4.47
Rot. Bonds3

About methyl 2-[[3,5-bis(trifluoromethyl)benzoyl]amino]-4-hydroxybenzoate

methyl 2-[[3,5-bis(trifluoromethyl)benzoyl]amino]-4-hydroxybenzoate (PubChem CID 86597400) has the molecular formula C17H11F6NO4 and a molecular weight of 407.27 g/mol. Its IUPAC name is methyl 2-[[3,5-bis(trifluoromethyl)benzoyl]amino]-4-hydroxybenzoate.

Molecular Properties

Compound Namemethyl 2-[[3,5-bis(trifluoromethyl)benzoyl]amino]-4-hydroxybenzoate
PubChem CID86597400
Molecular FormulaC17H11F6NO4
Molecular Weight407.27 g/mol
Exact Mass407.06
IUPAC Namemethyl 2-[[3,5-bis(trifluoromethyl)benzoyl]amino]-4-hydroxybenzoate
SMILESCOC(=O)c1ccc(O)cc1NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C17H11F6NO4/c1-28-15(27)12-3-2-11(25)7-13(12)24-14(26)8-4-9(16(18,19)20)6-10(5-8)17(21,22)23/h2-7,25H,1H3,(H,24,26)
InChIKeyURQZBAOGAWEGSE-UHFFFAOYSA-N
XLogP4.47
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.27
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-chloro-2-[[4-(trifluoromethyl)benzoyl]amino]benzoate
CID 2440555
methyl 4-[[3,5-bis(trifluoromethyl)benzoyl]amino]-3-methylbenzoate
CID 46530264
methyl 4-nitro-2-[[4-(trifluoromethyl)benzoyl]amino]benzoate
CID 69206811
N-(2-carbamoylphenyl)-3,5-bis(trifluoromethyl)benzamide
CID 60592332
methyl 2-[[3,5-bis(trifluoromethyl)benzoyl]amino]-4-[3-[(Z)-(4-tert-butylphenyl)methylideneamino]oxypropoxy]benzoate
CID 86597402
N-[2-(dimethylcarbamoyl)phenyl]-3,5-bis(trifluoromethyl)benzamide
CID 39233175
N-(2,5-dimethylphenyl)-3,5-bis(trifluoromethyl)benzamide
CID 2094760
N-(5-chloro-2-hydroxyphenyl)-3,5-bis(trifluoromethyl)benzamide
CID 71508594
N-[2-(propylcarbamoyl)phenyl]-3,5-bis(trifluoromethyl)benzamide
CID 134460179
N-(4-acetamidophenyl)-3,5-bis(trifluoromethyl)benzamide
CID 4842174
N-(2-fluoro-4-hydroxyphenyl)-4-(trifluoromethyl)benzamide
CID 64793492
methyl 4-fluoro-2-[(4-iodobenzoyl)amino]benzoate
CID 60787444

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3,5-bis(trifluoromethyl)benzoyl]amino]-4-hydroxybenzoate?
The IUPAC name of methyl 2-[[3,5-bis(trifluoromethyl)benzoyl]amino]-4-hydroxybenzoate (CID 86597400) is methyl 2-[[3,5-bis(trifluoromethyl)benzoyl]amino]-4-hydroxybenzoate.
What is the SMILES notation for methyl 2-[[3,5-bis(trifluoromethyl)benzoyl]amino]-4-hydroxybenzoate?
The canonical SMILES for methyl 2-[[3,5-bis(trifluoromethyl)benzoyl]amino]-4-hydroxybenzoate is COC(=O)c1ccc(O)cc1NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of methyl 2-[[3,5-bis(trifluoromethyl)benzoyl]amino]-4-hydroxybenzoate?
The InChIKey is URQZBAOGAWEGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F6NO4/c1-28-15(27)12-3-2-11(25)7-13(12)24-14(26)8-4-9(16(18,19)20)6-10(5-8)17(21,22)23/h2-7,25H,1H3,(H,24,26).
What are the key properties of methyl 2-[[3,5-bis(trifluoromethyl)benzoyl]amino]-4-hydroxybenzoate?
methyl 2-[[3,5-bis(trifluoromethyl)benzoyl]amino]-4-hydroxybenzoate has a molecular weight of 407.27 g/mol, XLogP of 4.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3,5-bis(trifluoromethyl)benzoyl]amino]-4-hydroxybenzoate is sourced from PubChem (CID 86597400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).