5-bromo-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide

C14H12BrF3N2OS — CID 112766862

IUPAC5-bromo-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide
SMILESCN(C)c1ccc(C(F)(F)F)cc1NC(=O)c1ccc(Br)s1
InChIInChI=1S/C14H12BrF3N2OS/c1-20(2)10-4-3-8(14(16,17)18)7-9(10)19-13(21)11-5-6-12(15)22-11/h3-7H,1-2H3,(H,19,21)
InChIKeyCTMXWJJGBVUZAQ-UHFFFAOYSA-N
MW393.23 g/mol
LogP4.85
Rot. Bonds3

About 5-bromo-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide

5-bromo-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide (PubChem CID 112766862) has the molecular formula C14H12BrF3N2OS and a molecular weight of 393.23 g/mol. Its IUPAC name is 5-bromo-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide
PubChem CID112766862
Molecular FormulaC14H12BrF3N2OS
Molecular Weight393.23 g/mol
Exact Mass391.98
IUPAC Name5-bromo-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide
SMILESCN(C)c1ccc(C(F)(F)F)cc1NC(=O)c1ccc(Br)s1
InChIInChI=1S/C14H12BrF3N2OS/c1-20(2)10-4-3-8(14(16,17)18)7-9(10)19-13(21)11-5-6-12(15)22-11/h3-7H,1-2H3,(H,19,21)
InChIKeyCTMXWJJGBVUZAQ-UHFFFAOYSA-N
XLogP4.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.23
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[5-chloro-2-(dimethylamino)phenyl]thiophene-2-carboxamide
CID 55336457
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-2,6-difluorobenzamide
CID 78778889
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 51152139
1-tert-butyl-3-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]urea
CID 78786564
3-[(5-bromothiophene-2-carbonyl)amino]-5-[4-(trifluoromethyl)phenyl]thiophene-2-carboxylic acid
CID 53470428
4-bromo-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-nitrobenzamide
CID 26181661
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-4-(2-methylpropanoylamino)benzamide
CID 39095106
4-bromo-N-[2-[3-(dimethylamino)propyl-methylamino]-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 59427907
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-4-methylpentanamide
CID 112766856
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-1,3-dihydro-2-benzofuran-5-carboxamide
CID 71881491
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-2-nitrobenzamide
CID 16959400
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 134000118

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide (CID 112766862) is 5-bromo-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide is CN(C)c1ccc(C(F)(F)F)cc1NC(=O)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
The InChIKey is CTMXWJJGBVUZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrF3N2OS/c1-20(2)10-4-3-8(14(16,17)18)7-9(10)19-13(21)11-5-6-12(15)22-11/h3-7H,1-2H3,(H,19,21).
What are the key properties of 5-bromo-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
5-bromo-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide has a molecular weight of 393.23 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 112766862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).