N-(4-aminophenyl)-4,5-dibromothiophene-2-carboxamide

C11H8Br2N2OS — CID 78984489

IUPACN-(4-aminophenyl)-4,5-dibromothiophene-2-carboxamide
SMILESNc1ccc(NC(=O)c2cc(Br)c(Br)s2)cc1
InChIInChI=1S/C11H8Br2N2OS/c12-8-5-9(17-10(8)13)11(16)15-7-3-1-6(14)2-4-7/h1-5H,14H2,(H,15,16)
InChIKeyIITVSIVNEIKZIS-UHFFFAOYSA-N
MW376.07 g/mol
LogP4.11
Rot. Bonds2

About N-(4-aminophenyl)-4,5-dibromothiophene-2-carboxamide

N-(4-aminophenyl)-4,5-dibromothiophene-2-carboxamide (PubChem CID 78984489) has the molecular formula C11H8Br2N2OS and a molecular weight of 376.07 g/mol. Its IUPAC name is N-(4-aminophenyl)-4,5-dibromothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-4,5-dibromothiophene-2-carboxamide
PubChem CID78984489
Molecular FormulaC11H8Br2N2OS
Molecular Weight376.07 g/mol
Exact Mass373.87
IUPAC NameN-(4-aminophenyl)-4,5-dibromothiophene-2-carboxamide
SMILESNc1ccc(NC(=O)c2cc(Br)c(Br)s2)cc1
InChIInChI=1S/C11H8Br2N2OS/c12-8-5-9(17-10(8)13)11(16)15-7-3-1-6(14)2-4-7/h1-5H,14H2,(H,15,16)
InChIKeyIITVSIVNEIKZIS-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': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4,5-dibromo-N-(4-carbamoylphenyl)thiophene-2-carboxamide
CID 4843233
N-[4-(2-amino-2-oxoethyl)phenyl]-4,5-dibromothiophene-2-carboxamide
CID 39280552
4,5-dibromo-N-[4-(methylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 24635611
4,5-dibromo-N-[4-(2-methylpropanoylamino)phenyl]thiophene-2-carboxamide
CID 42119588
2-[4-[(4,5-dibromothiophene-2-carbonyl)amino]phenyl]acetic acid
CID 43092929
4,5-dibromo-N-(3,4-dimethylphenyl)thiophene-2-carboxamide
CID 54557430
4,5-dibromo-N-(3-bromo-4-methoxyphenyl)thiophene-2-carboxamide
CID 80536511
4,5-dibromo-N-[4-bromo-3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 78906787
4,5-dibromo-N-(3,5-difluorophenyl)thiophene-2-carboxamide
CID 41248376
4,5-dibromo-N-quinoxalin-6-ylthiophene-2-carboxamide
CID 47254936
N-(4-amino-2-cyanophenyl)-4,5-dibromothiophene-2-carboxamide
CID 80537159
N-(4-amino-3-bromophenyl)-5-bromo-4-methylthiophene-2-carboxamide
CID 82862298

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-4,5-dibromothiophene-2-carboxamide?
The IUPAC name of N-(4-aminophenyl)-4,5-dibromothiophene-2-carboxamide (CID 78984489) is N-(4-aminophenyl)-4,5-dibromothiophene-2-carboxamide.
What is the SMILES notation for N-(4-aminophenyl)-4,5-dibromothiophene-2-carboxamide?
The canonical SMILES for N-(4-aminophenyl)-4,5-dibromothiophene-2-carboxamide is Nc1ccc(NC(=O)c2cc(Br)c(Br)s2)cc1.
What is the InChIKey of N-(4-aminophenyl)-4,5-dibromothiophene-2-carboxamide?
The InChIKey is IITVSIVNEIKZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Br2N2OS/c12-8-5-9(17-10(8)13)11(16)15-7-3-1-6(14)2-4-7/h1-5H,14H2,(H,15,16).
What are the key properties of N-(4-aminophenyl)-4,5-dibromothiophene-2-carboxamide?
N-(4-aminophenyl)-4,5-dibromothiophene-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-aminophenyl)-4,5-dibromothiophene-2-carboxamide is sourced from PubChem (CID 78984489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).