(4-amino-3-bromophenyl)-(3-chlorothiophen-2-yl)methanone

C11H7BrClNOS — CID 80642043

IUPAC(4-amino-3-bromophenyl)-(3-chlorothiophen-2-yl)methanone
SMILESNc1ccc(C(=O)c2sccc2Cl)cc1Br
InChIInChI=1S/C11H7BrClNOS/c12-7-5-6(1-2-9(7)14)10(15)11-8(13)3-4-16-11/h1-5H,14H2
InChIKeyLMKCXUFFELNMGY-UHFFFAOYSA-N
MW316.61 g/mol
LogP3.98
Rot. Bonds2

About (4-amino-3-bromophenyl)-(3-chlorothiophen-2-yl)methanone

(4-amino-3-bromophenyl)-(3-chlorothiophen-2-yl)methanone (PubChem CID 80642043) has the molecular formula C11H7BrClNOS and a molecular weight of 316.61 g/mol. Its IUPAC name is (4-amino-3-bromophenyl)-(3-chlorothiophen-2-yl)methanone.

Molecular Properties

Compound Name(4-amino-3-bromophenyl)-(3-chlorothiophen-2-yl)methanone
PubChem CID80642043
Molecular FormulaC11H7BrClNOS
Molecular Weight316.61 g/mol
Exact Mass314.91
IUPAC Name(4-amino-3-bromophenyl)-(3-chlorothiophen-2-yl)methanone
SMILESNc1ccc(C(=O)c2sccc2Cl)cc1Br
InChIInChI=1S/C11H7BrClNOS/c12-7-5-6(1-2-9(7)14)10(15)11-8(13)3-4-16-11/h1-5H,14H2
InChIKeyLMKCXUFFELNMGY-UHFFFAOYSA-N
XLogP3.98
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.61
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4-amino-3-bromophenyl)-(3-chlorothiophen-2-yl)methanone 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

(4-amino-3-chlorophenyl)-(3-chlorothiophen-2-yl)methanone
CID 80641909
(4-amino-3-methylphenyl)-(3-chlorothiophen-2-yl)methanone
CID 80531509
(3-bromo-4-chlorophenyl)-(3-bromothiophen-2-yl)methanone
CID 115566211
(3-aminophenyl)-(3-chlorothiophen-2-yl)methanone
CID 80531807
(3-chloro-4-iodophenyl)-(3-chlorothiophen-2-yl)methanone
CID 103219782
(4-amino-3-bromophenyl)-(5-methylthiophen-3-yl)methanone
CID 116582141
(4-chloro-3-methoxyphenyl)-(3-chlorothiophen-2-yl)methanone
CID 115781749
(3-amino-5-fluoro-4-methylphenyl)-(3-chlorothiophen-2-yl)methanone
CID 80531689
(2-bromo-4-chlorophenyl)-(3-chlorothiophen-2-yl)methanone
CID 107987212
(3-chlorothiophen-2-yl)-(3-iodophenyl)methanone
CID 80529870
(4-amino-3-bromophenyl)-(2-bromo-4-chlorophenyl)methanone
CID 107994532
(4-amino-3-bromophenyl)-(3-bromo-5-chlorophenyl)methanone
CID 107957051

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-bromophenyl)-(3-chlorothiophen-2-yl)methanone?
The IUPAC name of (4-amino-3-bromophenyl)-(3-chlorothiophen-2-yl)methanone (CID 80642043) is (4-amino-3-bromophenyl)-(3-chlorothiophen-2-yl)methanone.
What is the SMILES notation for (4-amino-3-bromophenyl)-(3-chlorothiophen-2-yl)methanone?
The canonical SMILES for (4-amino-3-bromophenyl)-(3-chlorothiophen-2-yl)methanone is Nc1ccc(C(=O)c2sccc2Cl)cc1Br.
What is the InChIKey of (4-amino-3-bromophenyl)-(3-chlorothiophen-2-yl)methanone?
The InChIKey is LMKCXUFFELNMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrClNOS/c12-7-5-6(1-2-9(7)14)10(15)11-8(13)3-4-16-11/h1-5H,14H2.
What are the key properties of (4-amino-3-bromophenyl)-(3-chlorothiophen-2-yl)methanone?
(4-amino-3-bromophenyl)-(3-chlorothiophen-2-yl)methanone has a molecular weight of 316.61 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-bromophenyl)-(3-chlorothiophen-2-yl)methanone is sourced from PubChem (CID 80642043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).