N-(4-amino-2-bromophenyl)-5-bromothiophene-2-carboxamide

C11H8Br2N2OS — CID 43549542

IUPACN-(4-amino-2-bromophenyl)-5-bromothiophene-2-carboxamide
SMILESNc1ccc(NC(=O)c2ccc(Br)s2)c(Br)c1
InChIInChI=1S/C11H8Br2N2OS/c12-7-5-6(14)1-2-8(7)15-11(16)9-3-4-10(13)17-9/h1-5H,14H2,(H,15,16)
InChIKeyDLCDCAMHDXOVLW-UHFFFAOYSA-N
MW376.07 g/mol
LogP4.11
Rot. Bonds2

About N-(4-amino-2-bromophenyl)-5-bromothiophene-2-carboxamide

N-(4-amino-2-bromophenyl)-5-bromothiophene-2-carboxamide (PubChem CID 43549542) has the molecular formula C11H8Br2N2OS and a molecular weight of 376.07 g/mol. Its IUPAC name is N-(4-amino-2-bromophenyl)-5-bromothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-amino-2-bromophenyl)-5-bromothiophene-2-carboxamide
PubChem CID43549542
Molecular FormulaC11H8Br2N2OS
Molecular Weight376.07 g/mol
Exact Mass373.87
IUPAC NameN-(4-amino-2-bromophenyl)-5-bromothiophene-2-carboxamide
SMILESNc1ccc(NC(=O)c2ccc(Br)s2)c(Br)c1
InChIInChI=1S/C11H8Br2N2OS/c12-7-5-6(14)1-2-8(7)15-11(16)9-3-4-10(13)17-9/h1-5H,14H2,(H,15,16)
InChIKeyDLCDCAMHDXOVLW-UHFFFAOYSA-N
XLogP4.11
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.07
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-bromophenyl)-5-bromothiophene-2-carboxamide?
The IUPAC name of N-(4-amino-2-bromophenyl)-5-bromothiophene-2-carboxamide (CID 43549542) is N-(4-amino-2-bromophenyl)-5-bromothiophene-2-carboxamide.
What is the SMILES notation for N-(4-amino-2-bromophenyl)-5-bromothiophene-2-carboxamide?
The canonical SMILES for N-(4-amino-2-bromophenyl)-5-bromothiophene-2-carboxamide is Nc1ccc(NC(=O)c2ccc(Br)s2)c(Br)c1.
What is the InChIKey of N-(4-amino-2-bromophenyl)-5-bromothiophene-2-carboxamide?
The InChIKey is DLCDCAMHDXOVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Br2N2OS/c12-7-5-6(14)1-2-8(7)15-11(16)9-3-4-10(13)17-9/h1-5H,14H2,(H,15,16).
What are the key properties of N-(4-amino-2-bromophenyl)-5-bromothiophene-2-carboxamide?
N-(4-amino-2-bromophenyl)-5-bromothiophene-2-carboxamide has a molecular weight of 376.07 g/mol, XLogP of 4.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-bromophenyl)-5-bromothiophene-2-carboxamide is sourced from PubChem (CID 43549542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).