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

C11H8BrClN2OS — CID 62278188

IUPACN-(2-amino-4-bromophenyl)-5-chlorothiophene-2-carboxamide
SMILESNc1cc(Br)ccc1NC(=O)c1ccc(Cl)s1
InChIInChI=1S/C11H8BrClN2OS/c12-6-1-2-8(7(14)5-6)15-11(16)9-3-4-10(13)17-9/h1-5H,14H2,(H,15,16)
InChIKeyNLBUVSRPKKVURH-UHFFFAOYSA-N
MW331.62 g/mol
LogP4.00
Rot. Bonds2

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

N-(2-amino-4-bromophenyl)-5-chlorothiophene-2-carboxamide (PubChem CID 62278188) has the molecular formula C11H8BrClN2OS and a molecular weight of 331.62 g/mol. Its IUPAC name is N-(2-amino-4-bromophenyl)-5-chlorothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-4-bromophenyl)-5-chlorothiophene-2-carboxamide
PubChem CID62278188
Molecular FormulaC11H8BrClN2OS
Molecular Weight331.62 g/mol
Exact Mass329.92
IUPAC NameN-(2-amino-4-bromophenyl)-5-chlorothiophene-2-carboxamide
SMILESNc1cc(Br)ccc1NC(=O)c1ccc(Cl)s1
InChIInChI=1S/C11H8BrClN2OS/c12-6-1-2-8(7(14)5-6)15-11(16)9-3-4-10(13)17-9/h1-5H,14H2,(H,15,16)
InChIKeyNLBUVSRPKKVURH-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'}

Analyze N-(2-amino-4-bromophenyl)-5-chlorothiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-N-(4-chloro-2-methylphenyl)thiophene-2-carboxamide
CID 17432904
N-(2-bromo-4-carbamothioylphenyl)-5-chlorothiophene-2-carboxamide
CID 107789645
N-(2-amino-4-bromophenyl)-5-bromopyridine-2-carboxamide
CID 62958937
N-(2-amino-4,6-difluorophenyl)-5-chlorothiophene-2-carboxamide
CID 81315290
N-(2-amino-4-bromophenyl)-2-chlorofuran-3-carboxamide
CID 106683097
N-(2-amino-4-bromophenyl)-1,3-thiazole-4-carboxamide
CID 63024055
N-(2-amino-4-bromophenyl)-2-chloroacetamide
CID 66911433
2-amino-4-bromo-N-(2-bromo-4-chlorophenyl)benzamide
CID 81263873
5-bromo-N-(5-bromo-2-fluorophenyl)thiophene-2-carboxamide
CID 61076675
1-(2-amino-4-bromophenyl)-3-(2-chlorophenyl)urea
CID 43544038
N-(2-amino-4-bromophenyl)-2,4,6-trimethylbenzamide
CID 29008296
2-N,5-N-bis(2,4-dichlorophenyl)thiophene-2,5-dicarboxamide
CID 2329395

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-bromophenyl)-5-chlorothiophene-2-carboxamide?
The IUPAC name of N-(2-amino-4-bromophenyl)-5-chlorothiophene-2-carboxamide (CID 62278188) is N-(2-amino-4-bromophenyl)-5-chlorothiophene-2-carboxamide.
What is the SMILES notation for N-(2-amino-4-bromophenyl)-5-chlorothiophene-2-carboxamide?
The canonical SMILES for N-(2-amino-4-bromophenyl)-5-chlorothiophene-2-carboxamide is Nc1cc(Br)ccc1NC(=O)c1ccc(Cl)s1.
What is the InChIKey of N-(2-amino-4-bromophenyl)-5-chlorothiophene-2-carboxamide?
The InChIKey is NLBUVSRPKKVURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrClN2OS/c12-6-1-2-8(7(14)5-6)15-11(16)9-3-4-10(13)17-9/h1-5H,14H2,(H,15,16).
What are the key properties of N-(2-amino-4-bromophenyl)-5-chlorothiophene-2-carboxamide?
N-(2-amino-4-bromophenyl)-5-chlorothiophene-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-(2-amino-4-bromophenyl)-5-chlorothiophene-2-carboxamide is sourced from PubChem (CID 62278188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).