2-hydroxy-3-methyl-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]benzamide

C18H17F3N2O3 — CID 86921324

IUPAC2-hydroxy-3-methyl-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]benzamide
SMILESCc1cccc(C(=O)NCCNC(=O)c2ccc(C(F)(F)F)cc2)c1O
InChIInChI=1S/C18H17F3N2O3/c1-11-3-2-4-14(15(11)24)17(26)23-10-9-22-16(25)12-5-7-13(8-6-12)18(19,20)21/h2-8,24H,9-10H2,1H3,(H,22,25)(H,23,26)
InChIKeyYUJQSIUIIXFQMP-UHFFFAOYSA-N
MW366.34 g/mol
LogP2.88
Rot. Bonds5

About 2-hydroxy-3-methyl-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]benzamide

2-hydroxy-3-methyl-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]benzamide (PubChem CID 86921324) has the molecular formula C18H17F3N2O3 and a molecular weight of 366.34 g/mol. Its IUPAC name is 2-hydroxy-3-methyl-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]benzamide.

Molecular Properties

Compound Name2-hydroxy-3-methyl-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]benzamide
PubChem CID86921324
Molecular FormulaC18H17F3N2O3
Molecular Weight366.34 g/mol
Exact Mass366.12
IUPAC Name2-hydroxy-3-methyl-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]benzamide
SMILESCc1cccc(C(=O)NCCNC(=O)c2ccc(C(F)(F)F)cc2)c1O
InChIInChI=1S/C18H17F3N2O3/c1-11-3-2-4-14(15(11)24)17(26)23-10-9-22-16(25)12-5-7-13(8-6-12)18(19,20)21/h2-8,24H,9-10H2,1H3,(H,22,25)(H,23,26)
InChIKeyYUJQSIUIIXFQMP-UHFFFAOYSA-N
XLogP2.88
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,4-dimethyl-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]benzamide
CID 108543008
N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-3-methylbenzamide
CID 57459273
N-[2-[[N'-methyl-N-[(2-methylphenyl)methyl]carbamimidoyl]amino]ethyl]-4-(trifluoromethyl)benzamide;hydroiodide
CID 111359697
N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-4-(trifluoromethyl)benzamide
CID 108537709
2-hydroxy-N-(3-iodopropyl)-3-methylbenzamide
CID 114504231
2-(2,3-dimethylanilino)-N-[2-[(4-hydroxybenzoyl)amino]ethyl]benzamide
CID 60517557
2-hydroxy-3-methyl-N-(2-methylsulfonylethyl)benzamide
CID 54934799
N-[2-[(2,2-diphenylacetyl)amino]ethyl]-4-(trifluoromethyl)benzamide
CID 55546186
N-[2-[(6-methylpyridazin-3-yl)amino]ethyl]-4-(trifluoromethyl)benzamide
CID 50947431
2,4-dichloro-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]benzamide
CID 34496955
2,3-dimethyl-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]quinoxaline-6-carboxamide
CID 108542144
2-methyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 141132168

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-methyl-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]benzamide?
The IUPAC name of 2-hydroxy-3-methyl-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]benzamide (CID 86921324) is 2-hydroxy-3-methyl-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]benzamide.
What is the SMILES notation for 2-hydroxy-3-methyl-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]benzamide?
The canonical SMILES for 2-hydroxy-3-methyl-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]benzamide is Cc1cccc(C(=O)NCCNC(=O)c2ccc(C(F)(F)F)cc2)c1O.
What is the InChIKey of 2-hydroxy-3-methyl-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]benzamide?
The InChIKey is YUJQSIUIIXFQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O3/c1-11-3-2-4-14(15(11)24)17(26)23-10-9-22-16(25)12-5-7-13(8-6-12)18(19,20)21/h2-8,24H,9-10H2,1H3,(H,22,25)(H,23,26).
What are the key properties of 2-hydroxy-3-methyl-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]benzamide?
2-hydroxy-3-methyl-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]benzamide has a molecular weight of 366.34 g/mol, XLogP of 2.88, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-methyl-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]benzamide is sourced from PubChem (CID 86921324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).