N-(5-bromo-2-chlorophenyl)-3-methylthiophene-2-carboxamide

C12H9BrClNOS — CID 55133221

IUPACN-(5-bromo-2-chlorophenyl)-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1cc(Br)ccc1Cl
InChIInChI=1S/C12H9BrClNOS/c1-7-4-5-17-11(7)12(16)15-10-6-8(13)2-3-9(10)14/h2-6H,1H3,(H,15,16)
InChIKeyXQOXLDWEZIEYDV-UHFFFAOYSA-N
MW330.63 g/mol
LogP4.72
Rot. Bonds2

About N-(5-bromo-2-chlorophenyl)-3-methylthiophene-2-carboxamide

N-(5-bromo-2-chlorophenyl)-3-methylthiophene-2-carboxamide (PubChem CID 55133221) has the molecular formula C12H9BrClNOS and a molecular weight of 330.63 g/mol. Its IUPAC name is N-(5-bromo-2-chlorophenyl)-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-chlorophenyl)-3-methylthiophene-2-carboxamide
PubChem CID55133221
Molecular FormulaC12H9BrClNOS
Molecular Weight330.63 g/mol
Exact Mass328.93
IUPAC NameN-(5-bromo-2-chlorophenyl)-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1cc(Br)ccc1Cl
InChIInChI=1S/C12H9BrClNOS/c1-7-4-5-17-11(7)12(16)15-10-6-8(13)2-3-9(10)14/h2-6H,1H3,(H,15,16)
InChIKeyXQOXLDWEZIEYDV-UHFFFAOYSA-N
XLogP4.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.63
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-amino-2-chlorophenyl)-3-methylthiophene-2-carboxamide
CID 43548778
N-(2-bromo-5-chloro-4-methylphenyl)-3-methylthiophene-2-carboxamide
CID 104723964
N-(3-bromo-5-methylphenyl)-3-methylthiophene-2-carboxamide
CID 104938713
5-bromo-N-(5-bromo-2-chlorophenyl)-4-methylthiophene-2-carboxamide
CID 79990693
N-(5-bromo-2-chlorophenyl)-4,5-dimethylthiophene-2-carboxamide
CID 62998518
N-(3-bromophenyl)-3-methylthiophene-2-carboxamide
CID 3480316
N-(3-amino-4-chlorophenyl)-3-methylthiophene-2-carboxamide
CID 24697524
5-amino-N-(5-bromo-2-chlorophenyl)-2,4-dimethylbenzamide
CID 102705529
3-bromo-N-(2-bromo-5-chloro-4-methylphenyl)thiophene-2-carboxamide
CID 104723934
methyl 4-[(2,5-dichlorophenyl)carbamoyl]-2-[(3-methylthiophene-2-carbonyl)amino]benzoate
CID 4850828
3-bromo-N-[2-chloro-5-(methylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 60794257
3-methyl-N-(2-methylphenyl)thiophene-2-carboxamide
CID 8714089

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-chlorophenyl)-3-methylthiophene-2-carboxamide?
The IUPAC name of N-(5-bromo-2-chlorophenyl)-3-methylthiophene-2-carboxamide (CID 55133221) is N-(5-bromo-2-chlorophenyl)-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(5-bromo-2-chlorophenyl)-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-(5-bromo-2-chlorophenyl)-3-methylthiophene-2-carboxamide is Cc1ccsc1C(=O)Nc1cc(Br)ccc1Cl.
What is the InChIKey of N-(5-bromo-2-chlorophenyl)-3-methylthiophene-2-carboxamide?
The InChIKey is XQOXLDWEZIEYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClNOS/c1-7-4-5-17-11(7)12(16)15-10-6-8(13)2-3-9(10)14/h2-6H,1H3,(H,15,16).
What are the key properties of N-(5-bromo-2-chlorophenyl)-3-methylthiophene-2-carboxamide?
N-(5-bromo-2-chlorophenyl)-3-methylthiophene-2-carboxamide has a molecular weight of 330.63 g/mol, XLogP of 4.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-chlorophenyl)-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 55133221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).