4-bromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-(trifluoromethyl)benzamide

C14H15BrF3NO2 — CID 104956518

IUPAC4-bromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-(trifluoromethyl)benzamide
SMILESCC1(C)C(O)CC1NC(=O)c1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C14H15BrF3NO2/c1-13(2)10(6-11(13)20)19-12(21)8-4-3-7(15)5-9(8)14(16,17)18/h3-5,10-11,20H,6H2,1-2H3,(H,19,21)
InChIKeyMTTBBSVJOZJENC-UHFFFAOYSA-N
MW366.18 g/mol
LogP3.36
Rot. Bonds2

About 4-bromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-(trifluoromethyl)benzamide

4-bromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-(trifluoromethyl)benzamide (PubChem CID 104956518) has the molecular formula C14H15BrF3NO2 and a molecular weight of 366.18 g/mol. Its IUPAC name is 4-bromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-(trifluoromethyl)benzamide
PubChem CID104956518
Molecular FormulaC14H15BrF3NO2
Molecular Weight366.18 g/mol
Exact Mass365.02
IUPAC Name4-bromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-(trifluoromethyl)benzamide
SMILESCC1(C)C(O)CC1NC(=O)c1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C14H15BrF3NO2/c1-13(2)10(6-11(13)20)19-12(21)8-4-3-7(15)5-9(8)14(16,17)18/h3-5,10-11,20H,6H2,1-2H3,(H,19,21)
InChIKeyMTTBBSVJOZJENC-UHFFFAOYSA-N
XLogP3.36
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.18
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dibromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide
CID 114629951
3-[4-bromo-2-(trifluoromethyl)anilino]-2,2-dimethylcyclobutan-1-ol
CID 112633741
2-bromo-5-fluoro-N-[(1R,3R)-3-hydroxy-2,2-dimethylcyclobutyl]benzamide
CID 124572619
2-bromo-N-[(1S,3R)-3-hydroxy-2,2-dimethylcyclobutyl]-5-methylbenzamide
CID 129381319
2,5-dibromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)thiophene-3-carboxamide
CID 104956536
3-bromo-4-fluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide
CID 104956529
4-bromo-N-methoxy-2-(trifluoromethyl)benzamide
CID 103925205
N-[3-(aminomethyl)pentan-3-yl]-4-bromo-2-(trifluoromethyl)benzamide
CID 107333139
1-(3-hydroxy-2,2-dimethylcyclobutyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 114631435
5-amino-2,4-difluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide
CID 114628200
4-bromo-N-(2,2-dimethylcyclopropyl)-2-sulfanylbenzamide
CID 107027442
N-[1-(aminomethyl)cyclopentyl]-4-bromo-2-(trifluoromethyl)benzamide
CID 107333140

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-(trifluoromethyl)benzamide?
The IUPAC name of 4-bromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-(trifluoromethyl)benzamide (CID 104956518) is 4-bromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-bromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-(trifluoromethyl)benzamide?
The canonical SMILES for 4-bromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-(trifluoromethyl)benzamide is CC1(C)C(O)CC1NC(=O)c1ccc(Br)cc1C(F)(F)F.
What is the InChIKey of 4-bromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-(trifluoromethyl)benzamide?
The InChIKey is MTTBBSVJOZJENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrF3NO2/c1-13(2)10(6-11(13)20)19-12(21)8-4-3-7(15)5-9(8)14(16,17)18/h3-5,10-11,20H,6H2,1-2H3,(H,19,21).
What are the key properties of 4-bromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-(trifluoromethyl)benzamide?
4-bromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-(trifluoromethyl)benzamide has a molecular weight of 366.18 g/mol, XLogP of 3.36, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 104956518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).