(4-aminophenyl)-(4-bromo-5-chlorothiophen-2-yl)methanone

C11H7BrClNOS — CID 102837635

IUPAC(4-aminophenyl)-(4-bromo-5-chlorothiophen-2-yl)methanone
SMILESNc1ccc(C(=O)c2cc(Br)c(Cl)s2)cc1
InChIInChI=1S/C11H7BrClNOS/c12-8-5-9(16-11(8)13)10(15)6-1-3-7(14)4-2-6/h1-5H,14H2
InChIKeyZIZQTFKSMABPQX-UHFFFAOYSA-N
MW316.61 g/mol
LogP3.98
Rot. Bonds2

About (4-aminophenyl)-(4-bromo-5-chlorothiophen-2-yl)methanone

(4-aminophenyl)-(4-bromo-5-chlorothiophen-2-yl)methanone (PubChem CID 102837635) has the molecular formula C11H7BrClNOS and a molecular weight of 316.61 g/mol. Its IUPAC name is (4-aminophenyl)-(4-bromo-5-chlorothiophen-2-yl)methanone.

Molecular Properties

Compound Name(4-aminophenyl)-(4-bromo-5-chlorothiophen-2-yl)methanone
PubChem CID102837635
Molecular FormulaC11H7BrClNOS
Molecular Weight316.61 g/mol
Exact Mass314.91
IUPAC Name(4-aminophenyl)-(4-bromo-5-chlorothiophen-2-yl)methanone
SMILESNc1ccc(C(=O)c2cc(Br)c(Cl)s2)cc1
InChIInChI=1S/C11H7BrClNOS/c12-8-5-9(16-11(8)13)10(15)6-1-3-7(14)4-2-6/h1-5H,14H2
InChIKeyZIZQTFKSMABPQX-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'}

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Related Compounds

(4-bromo-5-chlorothiophen-2-yl)-phenylmethanone
CID 102826743
(3-amino-5-chlorophenyl)-(4-bromo-5-chlorothiophen-2-yl)methanone
CID 102837630
(3-amino-5-methylsulfonylphenyl)-(4-bromo-5-chlorothiophen-2-yl)methanone
CID 102837649
(4-bromo-5-chlorothiophen-2-yl)-(2,6-dichlorophenyl)methanone
CID 102826843
(4-bromo-5-chlorothiophen-2-yl)-(2,5-dibromophenyl)methanone
CID 102826777
(2-amino-6-methylphenyl)-(4-bromo-5-chlorothiophen-2-yl)methanone
CID 102837614
(5-bromo-4-chlorothiophen-2-yl)-(4-methylphenyl)methanone
CID 80531734
(5-bromo-4-chlorothiophen-2-yl)-(2,4-diaminophenyl)methanone
CID 80532463
(4-bromo-5-methylthiophen-2-yl)-(4-chloro-3-methylphenyl)methanone
CID 102826674
[4-bromo-5-(4-methylphenyl)thiophen-2-yl]-(4-methylphenyl)methanone
CID 177421349
(4-aminophenyl)-(2,4-dibromophenyl)methanone
CID 107957044
(4,5-dibromothiophen-2-yl)-(4-methylsulfanylphenyl)methanone
CID 80532450

Frequently Asked Questions

What is the IUPAC name of (4-aminophenyl)-(4-bromo-5-chlorothiophen-2-yl)methanone?
The IUPAC name of (4-aminophenyl)-(4-bromo-5-chlorothiophen-2-yl)methanone (CID 102837635) is (4-aminophenyl)-(4-bromo-5-chlorothiophen-2-yl)methanone.
What is the SMILES notation for (4-aminophenyl)-(4-bromo-5-chlorothiophen-2-yl)methanone?
The canonical SMILES for (4-aminophenyl)-(4-bromo-5-chlorothiophen-2-yl)methanone is Nc1ccc(C(=O)c2cc(Br)c(Cl)s2)cc1.
What is the InChIKey of (4-aminophenyl)-(4-bromo-5-chlorothiophen-2-yl)methanone?
The InChIKey is ZIZQTFKSMABPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrClNOS/c12-8-5-9(16-11(8)13)10(15)6-1-3-7(14)4-2-6/h1-5H,14H2.
What are the key properties of (4-aminophenyl)-(4-bromo-5-chlorothiophen-2-yl)methanone?
(4-aminophenyl)-(4-bromo-5-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-aminophenyl)-(4-bromo-5-chlorothiophen-2-yl)methanone is sourced from PubChem (CID 102837635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).