N-(3-amino-5-chlorophenyl)-4-bromothiophene-2-carboxamide

C11H8BrClN2OS — CID 169144422

IUPACN-(3-amino-5-chlorophenyl)-4-bromothiophene-2-carboxamide
SMILESNc1cc(Cl)cc(NC(=O)c2cc(Br)cs2)c1
InChIInChI=1S/C11H8BrClN2OS/c12-6-1-10(17-5-6)11(16)15-9-3-7(13)2-8(14)4-9/h1-5H,14H2,(H,15,16)
InChIKeyVOXFNRQIULXKLO-UHFFFAOYSA-N
MW331.62 g/mol
LogP4.00
Rot. Bonds2

About N-(3-amino-5-chlorophenyl)-4-bromothiophene-2-carboxamide

N-(3-amino-5-chlorophenyl)-4-bromothiophene-2-carboxamide (PubChem CID 169144422) has the molecular formula C11H8BrClN2OS and a molecular weight of 331.62 g/mol. Its IUPAC name is N-(3-amino-5-chlorophenyl)-4-bromothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-amino-5-chlorophenyl)-4-bromothiophene-2-carboxamide
PubChem CID169144422
Molecular FormulaC11H8BrClN2OS
Molecular Weight331.62 g/mol
Exact Mass329.92
IUPAC NameN-(3-amino-5-chlorophenyl)-4-bromothiophene-2-carboxamide
SMILESNc1cc(Cl)cc(NC(=O)c2cc(Br)cs2)c1
InChIInChI=1S/C11H8BrClN2OS/c12-6-1-10(17-5-6)11(16)15-9-3-7(13)2-8(14)4-9/h1-5H,14H2,(H,15,16)
InChIKeyVOXFNRQIULXKLO-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

N-(3-acetamidophenyl)-4-bromothiophene-2-carboxamide
CID 17173176
4-bromo-N-(4-methyl-1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 110763463
N-(3,5-dichlorophenyl)-4-[(3,5-dimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19505356
4-bromo-N-cyclopropylthiophene-2-carboxamide
CID 110763428
(E)-4-(3-amino-5-chloroanilino)-4-oxobut-2-enoic acid
CID 135132416
3-amino-5-bromo-N-(3,5-dichlorophenyl)-2-methylbenzamide
CID 107872101
N-(3-bromo-5-methylphenyl)-4-sulfanylthiophene-2-carboxamide
CID 107580400
N-(3-amino-5-fluorophenyl)-5-chlorothiophene-2-carboxamide
CID 107334076
5-bromo-N-(3-chloro-5-fluorophenyl)thiophene-2-carboxamide
CID 103774691
4-[(4-chloropyrazol-1-yl)methyl]-N-(3,5-dichlorophenyl)thiophene-2-carboxamide
CID 19490676
4-[(2-chlorophenoxy)methyl]-N-(3,5-dichlorophenyl)thiophene-2-carboxamide
CID 19503002
N-(3,5-dichlorophenyl)-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19469372

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-5-chlorophenyl)-4-bromothiophene-2-carboxamide?
The IUPAC name of N-(3-amino-5-chlorophenyl)-4-bromothiophene-2-carboxamide (CID 169144422) is N-(3-amino-5-chlorophenyl)-4-bromothiophene-2-carboxamide.
What is the SMILES notation for N-(3-amino-5-chlorophenyl)-4-bromothiophene-2-carboxamide?
The canonical SMILES for N-(3-amino-5-chlorophenyl)-4-bromothiophene-2-carboxamide is Nc1cc(Cl)cc(NC(=O)c2cc(Br)cs2)c1.
What is the InChIKey of N-(3-amino-5-chlorophenyl)-4-bromothiophene-2-carboxamide?
The InChIKey is VOXFNRQIULXKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrClN2OS/c12-6-1-10(17-5-6)11(16)15-9-3-7(13)2-8(14)4-9/h1-5H,14H2,(H,15,16).
What are the key properties of N-(3-amino-5-chlorophenyl)-4-bromothiophene-2-carboxamide?
N-(3-amino-5-chlorophenyl)-4-bromothiophene-2-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-(3-amino-5-chlorophenyl)-4-bromothiophene-2-carboxamide is sourced from PubChem (CID 169144422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).