N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-3-methylbenzamide

C16H11F6NO2 — CID 57459273

IUPACN-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1O
InChIInChI=1S/C16H11F6NO2/c1-8-3-2-4-12(13(8)24)14(25)23-11-6-9(15(17,18)19)5-10(7-11)16(20,21)22/h2-7,24H,1H3,(H,23,25)
InChIKeyORCCGGZDTIMIAI-UHFFFAOYSA-N
MW363.26 g/mol
LogP4.99
Rot. Bonds2

About N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-3-methylbenzamide

N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-3-methylbenzamide (PubChem CID 57459273) has the molecular formula C16H11F6NO2 and a molecular weight of 363.26 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-3-methylbenzamide.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-3-methylbenzamide
PubChem CID57459273
Molecular FormulaC16H11F6NO2
Molecular Weight363.26 g/mol
Exact Mass363.07
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1O
InChIInChI=1S/C16H11F6NO2/c1-8-3-2-4-12(13(8)24)14(25)23-11-6-9(15(17,18)19)5-10(7-11)16(20,21)22/h2-7,24H,1H3,(H,23,25)
InChIKeyORCCGGZDTIMIAI-UHFFFAOYSA-N
XLogP4.99
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.26
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-1-N,3-N-bis[4-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
CID 155920070
2-hydroxy-3-methyl-N-[[4-oxo-4-[3-(trifluoromethyl)anilino]butan-2-ylidene]amino]benzamide
CID 2889180
2-hydroxy-3-methyl-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]benzamide
CID 86921324
N-[3,5-bis(trifluoromethyl)phenyl]-4-hydroxy-3-methylbenzamide
CID 59263648
N-[3,5-bis(trifluoromethyl)phenyl]-5-tert-butyl-3-ethyl-2-hydroxybenzamide
CID 87679808
2-fluoro-4-[(2-hydroxy-3-methylbenzoyl)amino]benzoic acid
CID 103867338
N-[3-(chloromethyl)phenyl]-2-hydroxy-3-methylbenzamide
CID 113270960
5-acetamido-N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxybenzamide
CID 71554885
N-[4-(dimethylamino)phenyl]-2-hydroxy-3-methylbenzamide
CID 43405605
N-[3-(aminomethyl)-4-fluorophenyl]-2-hydroxy-3-methylbenzamide
CID 62317484
N-[3,5-bis(trifluoromethyl)phenyl]-2,6-dichlorobenzamide
CID 134094337
N-(3,5-dichloro-4-hydroxyphenyl)-2-fluoro-3-methylbenzamide
CID 82884561

Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-3-methylbenzamide?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-3-methylbenzamide (CID 57459273) is N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-3-methylbenzamide.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-3-methylbenzamide?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-3-methylbenzamide is Cc1cccc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1O.
What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-3-methylbenzamide?
The InChIKey is ORCCGGZDTIMIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F6NO2/c1-8-3-2-4-12(13(8)24)14(25)23-11-6-9(15(17,18)19)5-10(7-11)16(20,21)22/h2-7,24H,1H3,(H,23,25).
What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-3-methylbenzamide?
N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-3-methylbenzamide has a molecular weight of 363.26 g/mol, XLogP of 4.99, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-3-methylbenzamide is sourced from PubChem (CID 57459273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).