N-(5-tert-butyl-2-hydroxyphenyl)-3-fluoro-4-methylbenzamide

C18H20FNO2 — CID 27673068

IUPACN-(5-tert-butyl-2-hydroxyphenyl)-3-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cc(C(C)(C)C)ccc2O)cc1F
InChIInChI=1S/C18H20FNO2/c1-11-5-6-12(9-14(11)19)17(22)20-15-10-13(18(2,3)4)7-8-16(15)21/h5-10,21H,1-4H3,(H,20,22)
InChIKeyYAVJEMCQBYOJQM-UHFFFAOYSA-N
MW301.36 g/mol
LogP4.39
Rot. Bonds2

About N-(5-tert-butyl-2-hydroxyphenyl)-3-fluoro-4-methylbenzamide

N-(5-tert-butyl-2-hydroxyphenyl)-3-fluoro-4-methylbenzamide (PubChem CID 27673068) has the molecular formula C18H20FNO2 and a molecular weight of 301.36 g/mol. Its IUPAC name is N-(5-tert-butyl-2-hydroxyphenyl)-3-fluoro-4-methylbenzamide.

Molecular Properties

Compound NameN-(5-tert-butyl-2-hydroxyphenyl)-3-fluoro-4-methylbenzamide
PubChem CID27673068
Molecular FormulaC18H20FNO2
Molecular Weight301.36 g/mol
Exact Mass301.15
IUPAC NameN-(5-tert-butyl-2-hydroxyphenyl)-3-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cc(C(C)(C)C)ccc2O)cc1F
InChIInChI=1S/C18H20FNO2/c1-11-5-6-12(9-14(11)19)17(22)20-15-10-13(18(2,3)4)7-8-16(15)21/h5-10,21H,1-4H3,(H,20,22)
InChIKeyYAVJEMCQBYOJQM-UHFFFAOYSA-N
XLogP4.39
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(5-tert-butyl-2-hydroxyphenyl)-3,4-dimethylbenzamide
CID 51573262
N-(5-tert-butyl-2-hydroxyphenyl)-3-chloro-4-hydroxybenzamide
CID 29265235
3-fluoro-N-(2-hydroxy-4-methylphenyl)-4-methylbenzamide
CID 9087267
N-[(5-tert-butyl-2-hydroxyphenyl)carbamothioyl]-3,4-dimethylbenzamide
CID 1346607
N-[2-[(4-tert-butylbenzoyl)amino]phenyl]-3-hydroxy-4-methylbenzamide
CID 21352752
N-(5-tert-butyl-2-hydroxyphenyl)-4-ethoxybenzamide
CID 27672955
3-fluoro-4-methyl-N-(2,3,4-trifluorophenyl)benzamide
CID 26690686
N,N'-bis(5-tert-butyl-2-hydroxyphenyl)oxamide
CID 10524086
2-[(3-fluoro-4-methylbenzoyl)amino]-5-hydroxybenzoic acid
CID 61405723
N-(5-tert-butyl-2-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 46581242
N-(5-tert-butyl-2-hydroxyphenyl)-1,3-benzothiazole-6-carboxamide
CID 27672924
N-(5-tert-butyl-2-hydroxyphenyl)-3-cyclopropylbenzamide
CID 146081814

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-2-hydroxyphenyl)-3-fluoro-4-methylbenzamide?
The IUPAC name of N-(5-tert-butyl-2-hydroxyphenyl)-3-fluoro-4-methylbenzamide (CID 27673068) is N-(5-tert-butyl-2-hydroxyphenyl)-3-fluoro-4-methylbenzamide.
What is the SMILES notation for N-(5-tert-butyl-2-hydroxyphenyl)-3-fluoro-4-methylbenzamide?
The canonical SMILES for N-(5-tert-butyl-2-hydroxyphenyl)-3-fluoro-4-methylbenzamide is Cc1ccc(C(=O)Nc2cc(C(C)(C)C)ccc2O)cc1F.
What is the InChIKey of N-(5-tert-butyl-2-hydroxyphenyl)-3-fluoro-4-methylbenzamide?
The InChIKey is YAVJEMCQBYOJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO2/c1-11-5-6-12(9-14(11)19)17(22)20-15-10-13(18(2,3)4)7-8-16(15)21/h5-10,21H,1-4H3,(H,20,22).
What are the key properties of N-(5-tert-butyl-2-hydroxyphenyl)-3-fluoro-4-methylbenzamide?
N-(5-tert-butyl-2-hydroxyphenyl)-3-fluoro-4-methylbenzamide has a molecular weight of 301.36 g/mol, XLogP of 4.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-2-hydroxyphenyl)-3-fluoro-4-methylbenzamide is sourced from PubChem (CID 27673068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).