N-[2-amino-4-(trifluoromethyl)phenyl]-5-bromo-4-methylthiophene-2-carboxamide

C13H10BrF3N2OS — CID 79975104

IUPACN-[2-amino-4-(trifluoromethyl)phenyl]-5-bromo-4-methylthiophene-2-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(C(F)(F)F)cc2N)sc1Br
InChIInChI=1S/C13H10BrF3N2OS/c1-6-4-10(21-11(6)14)12(20)19-9-3-2-7(5-8(9)18)13(15,16)17/h2-5H,18H2,1H3,(H,19,20)
InChIKeyKBMSSZXLBDJQCV-UHFFFAOYSA-N
MW379.20 g/mol
LogP4.67
Rot. Bonds2

About N-[2-amino-4-(trifluoromethyl)phenyl]-5-bromo-4-methylthiophene-2-carboxamide

N-[2-amino-4-(trifluoromethyl)phenyl]-5-bromo-4-methylthiophene-2-carboxamide (PubChem CID 79975104) has the molecular formula C13H10BrF3N2OS and a molecular weight of 379.20 g/mol. Its IUPAC name is N-[2-amino-4-(trifluoromethyl)phenyl]-5-bromo-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-amino-4-(trifluoromethyl)phenyl]-5-bromo-4-methylthiophene-2-carboxamide
PubChem CID79975104
Molecular FormulaC13H10BrF3N2OS
Molecular Weight379.20 g/mol
Exact Mass377.96
IUPAC NameN-[2-amino-4-(trifluoromethyl)phenyl]-5-bromo-4-methylthiophene-2-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(C(F)(F)F)cc2N)sc1Br
InChIInChI=1S/C13H10BrF3N2OS/c1-6-4-10(21-11(6)14)12(20)19-9-3-2-7(5-8(9)18)13(15,16)17/h2-5H,18H2,1H3,(H,19,20)
InChIKeyKBMSSZXLBDJQCV-UHFFFAOYSA-N
XLogP4.67
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.20
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-amino-4-(trifluoromethyl)phenyl]-5-bromo-4-methylthiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-4-[(5-bromo-4-methylthiophene-2-carbonyl)amino]benzoic acid
CID 79981305
N-(2-aminophenyl)-5-bromo-4-methylthiophene-2-carboxamide
CID 79976427
4-[(5-bromo-4-methylthiophene-2-carbonyl)amino]-3-fluorobenzoic acid
CID 79981534
4-amino-5-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 66478729
N-[2-amino-4-(trifluoromethyl)phenyl]acetamide
CID 2779452
5-amino-2-[(5-bromo-4-methylthiophene-2-carbonyl)amino]benzoic acid
CID 79981158
N-[2-amino-4-(trifluoromethyl)phenyl]-3-hydroxy-4-methylbenzamide
CID 16776129
5-bromo-N-(2,5-difluoro-4-methylphenyl)-4-methylthiophene-2-carboxamide
CID 103586267
5-bromo-N-(2-fluoro-4-sulfamoylphenyl)-4-methylthiophene-2-carboxamide
CID 79999807
N-[2-amino-4-(trifluoromethyl)phenyl]benzamide
CID 16775395
N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-5-bromo-4-methylthiophene-2-carboxamide
CID 79975307
N-(4-amino-3-bromophenyl)-5-bromo-4-methylthiophene-2-carboxamide
CID 82862298

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-4-(trifluoromethyl)phenyl]-5-bromo-4-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-amino-4-(trifluoromethyl)phenyl]-5-bromo-4-methylthiophene-2-carboxamide (CID 79975104) is N-[2-amino-4-(trifluoromethyl)phenyl]-5-bromo-4-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-amino-4-(trifluoromethyl)phenyl]-5-bromo-4-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-amino-4-(trifluoromethyl)phenyl]-5-bromo-4-methylthiophene-2-carboxamide is Cc1cc(C(=O)Nc2ccc(C(F)(F)F)cc2N)sc1Br.
What is the InChIKey of N-[2-amino-4-(trifluoromethyl)phenyl]-5-bromo-4-methylthiophene-2-carboxamide?
The InChIKey is KBMSSZXLBDJQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrF3N2OS/c1-6-4-10(21-11(6)14)12(20)19-9-3-2-7(5-8(9)18)13(15,16)17/h2-5H,18H2,1H3,(H,19,20).
What are the key properties of N-[2-amino-4-(trifluoromethyl)phenyl]-5-bromo-4-methylthiophene-2-carboxamide?
N-[2-amino-4-(trifluoromethyl)phenyl]-5-bromo-4-methylthiophene-2-carboxamide has a molecular weight of 379.20 g/mol, XLogP of 4.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-4-(trifluoromethyl)phenyl]-5-bromo-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 79975104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).