N-(2-amino-5-chlorophenyl)-5-bromothiophene-3-carboxamide

C11H8BrClN2OS — CID 107959269

IUPACN-(2-amino-5-chlorophenyl)-5-bromothiophene-3-carboxamide
SMILESNc1ccc(Cl)cc1NC(=O)c1csc(Br)c1
InChIInChI=1S/C11H8BrClN2OS/c12-10-3-6(5-17-10)11(16)15-9-4-7(13)1-2-8(9)14/h1-5H,14H2,(H,15,16)
InChIKeyXLEGDVQVFQXOPS-UHFFFAOYSA-N
MW331.62 g/mol
LogP4.00
Rot. Bonds2

About N-(2-amino-5-chlorophenyl)-5-bromothiophene-3-carboxamide

N-(2-amino-5-chlorophenyl)-5-bromothiophene-3-carboxamide (PubChem CID 107959269) has the molecular formula C11H8BrClN2OS and a molecular weight of 331.62 g/mol. Its IUPAC name is N-(2-amino-5-chlorophenyl)-5-bromothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-5-chlorophenyl)-5-bromothiophene-3-carboxamide
PubChem CID107959269
Molecular FormulaC11H8BrClN2OS
Molecular Weight331.62 g/mol
Exact Mass329.92
IUPAC NameN-(2-amino-5-chlorophenyl)-5-bromothiophene-3-carboxamide
SMILESNc1ccc(Cl)cc1NC(=O)c1csc(Br)c1
InChIInChI=1S/C11H8BrClN2OS/c12-10-3-6(5-17-10)11(16)15-9-4-7(13)1-2-8(9)14/h1-5H,14H2,(H,15,16)
InChIKeyXLEGDVQVFQXOPS-UHFFFAOYSA-N
XLogP4.00
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.62
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(5-bromothiophene-3-carbonyl)amino]-4-chlorobenzoic acid
CID 43354294
N-(2-amino-5-chlorophenyl)-4-chlorobenzamide
CID 16771665
5-bromo-N-(4-chlorophenyl)thiophene-3-carboxamide
CID 43424533
methyl 2-[(5-bromothiophene-3-carbonyl)amino]-5-chlorobenzoate
CID 47249749
N-(2-amino-5-chlorophenyl)-4-hydroxybenzamide
CID 18070438
5-bromo-N-(2-chloro-4-methylphenyl)thiophene-3-carboxamide
CID 43424548
4-amino-2-[(5-bromothiophene-3-carbonyl)amino]benzoic acid
CID 107959455
N-(2-amino-5-chlorophenyl)-2,5-dibromobenzamide
CID 114367618
4-amino-N-(2-bromo-5-chlorophenyl)-3-methylbenzamide
CID 81262936
N-(2-amino-5-chlorophenyl)-5-bromo-2-fluorobenzamide
CID 24699699
5-bromo-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)thiophene-3-carboxamide
CID 39821287
N-(2-amino-5-chlorophenyl)-3-bromo-2-fluorobenzamide
CID 107948709

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-chlorophenyl)-5-bromothiophene-3-carboxamide?
The IUPAC name of N-(2-amino-5-chlorophenyl)-5-bromothiophene-3-carboxamide (CID 107959269) is N-(2-amino-5-chlorophenyl)-5-bromothiophene-3-carboxamide.
What is the SMILES notation for N-(2-amino-5-chlorophenyl)-5-bromothiophene-3-carboxamide?
The canonical SMILES for N-(2-amino-5-chlorophenyl)-5-bromothiophene-3-carboxamide is Nc1ccc(Cl)cc1NC(=O)c1csc(Br)c1.
What is the InChIKey of N-(2-amino-5-chlorophenyl)-5-bromothiophene-3-carboxamide?
The InChIKey is XLEGDVQVFQXOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrClN2OS/c12-10-3-6(5-17-10)11(16)15-9-4-7(13)1-2-8(9)14/h1-5H,14H2,(H,15,16).
What are the key properties of N-(2-amino-5-chlorophenyl)-5-bromothiophene-3-carboxamide?
N-(2-amino-5-chlorophenyl)-5-bromothiophene-3-carboxamide has a molecular weight of 331.62 g/mol, XLogP of 4.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-chlorophenyl)-5-bromothiophene-3-carboxamide is sourced from PubChem (CID 107959269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).