N-(5-chloro-4-hydroxy-2-methylphenyl)-3,5-bis(trifluoromethyl)benzamide

C16H10ClF6NO2 — CID 18684513

IUPACN-(5-chloro-4-hydroxy-2-methylphenyl)-3,5-bis(trifluoromethyl)benzamide
SMILESCc1cc(O)c(Cl)cc1NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C16H10ClF6NO2/c1-7-2-13(25)11(17)6-12(7)24-14(26)8-3-9(15(18,19)20)5-10(4-8)16(21,22)23/h2-6,25H,1H3,(H,24,26)
InChIKeyMYDRPHPQKUWZIY-UHFFFAOYSA-N
MW397.70 g/mol
LogP5.64
Rot. Bonds2

About N-(5-chloro-4-hydroxy-2-methylphenyl)-3,5-bis(trifluoromethyl)benzamide

N-(5-chloro-4-hydroxy-2-methylphenyl)-3,5-bis(trifluoromethyl)benzamide (PubChem CID 18684513) has the molecular formula C16H10ClF6NO2 and a molecular weight of 397.70 g/mol. Its IUPAC name is N-(5-chloro-4-hydroxy-2-methylphenyl)-3,5-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(5-chloro-4-hydroxy-2-methylphenyl)-3,5-bis(trifluoromethyl)benzamide
PubChem CID18684513
Molecular FormulaC16H10ClF6NO2
Molecular Weight397.70 g/mol
Exact Mass397.03
IUPAC NameN-(5-chloro-4-hydroxy-2-methylphenyl)-3,5-bis(trifluoromethyl)benzamide
SMILESCc1cc(O)c(Cl)cc1NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C16H10ClF6NO2/c1-7-2-13(25)11(17)6-12(7)24-14(26)8-3-9(15(18,19)20)5-10(4-8)16(21,22)23/h2-6,25H,1H3,(H,24,26)
InChIKeyMYDRPHPQKUWZIY-UHFFFAOYSA-N
XLogP5.64
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.70
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-(2,5-dimethylphenyl)-3,5-bis(trifluoromethyl)benzamide
CID 2094760
N-(5-chloro-2-hydroxyphenyl)-3,5-bis(trifluoromethyl)benzamide
CID 71508594
methyl 4-[[3,5-bis(trifluoromethyl)benzoyl]amino]-3-methylbenzoate
CID 46530264
3-chloro-N-(4-hydroxy-2,5-dimethylphenyl)-5-methylbenzamide
CID 106834998
N-[3,5-bis(trifluoromethyl)phenyl]-4-hydroxy-3-methylbenzamide
CID 59263648
N-(4-acetamidophenyl)-3,5-bis(trifluoromethyl)benzamide
CID 4842174
N-(2,5-dimethylphenyl)-4-(trifluoromethyl)benzamide
CID 4801581
methyl 2-[[3,5-bis(trifluoromethyl)benzoyl]amino]-4-hydroxybenzoate
CID 86597400
N-[2-hydroxy-3-methyl-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 70806875
N-(4,5-dichloro-2-methylphenyl)-2,2,2-trifluoroacetamide
CID 145284883
N-(2-methylsulfonylphenyl)-3,5-bis(trifluoromethyl)benzamide
CID 55487840
N-[3-chloro-2-hydroxy-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 66879857

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-4-hydroxy-2-methylphenyl)-3,5-bis(trifluoromethyl)benzamide?
The IUPAC name of N-(5-chloro-4-hydroxy-2-methylphenyl)-3,5-bis(trifluoromethyl)benzamide (CID 18684513) is N-(5-chloro-4-hydroxy-2-methylphenyl)-3,5-bis(trifluoromethyl)benzamide.
What is the SMILES notation for N-(5-chloro-4-hydroxy-2-methylphenyl)-3,5-bis(trifluoromethyl)benzamide?
The canonical SMILES for N-(5-chloro-4-hydroxy-2-methylphenyl)-3,5-bis(trifluoromethyl)benzamide is Cc1cc(O)c(Cl)cc1NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of N-(5-chloro-4-hydroxy-2-methylphenyl)-3,5-bis(trifluoromethyl)benzamide?
The InChIKey is MYDRPHPQKUWZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF6NO2/c1-7-2-13(25)11(17)6-12(7)24-14(26)8-3-9(15(18,19)20)5-10(4-8)16(21,22)23/h2-6,25H,1H3,(H,24,26).
What are the key properties of N-(5-chloro-4-hydroxy-2-methylphenyl)-3,5-bis(trifluoromethyl)benzamide?
N-(5-chloro-4-hydroxy-2-methylphenyl)-3,5-bis(trifluoromethyl)benzamide has a molecular weight of 397.70 g/mol, XLogP of 5.64, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-4-hydroxy-2-methylphenyl)-3,5-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 18684513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).