(4-amino-3,5-dichlorophenyl)-(5-methylthiophen-2-yl)methanone

C12H9Cl2NOS — CID 116609801

IUPAC(4-amino-3,5-dichlorophenyl)-(5-methylthiophen-2-yl)methanone
SMILESCc1ccc(C(=O)c2cc(Cl)c(N)c(Cl)c2)s1
InChIInChI=1S/C12H9Cl2NOS/c1-6-2-3-10(17-6)12(16)7-4-8(13)11(15)9(14)5-7/h2-5H,15H2,1H3
InChIKeyAXPCGCAFDKSROI-UHFFFAOYSA-N
MW286.18 g/mol
LogP4.18
Rot. Bonds2

About (4-amino-3,5-dichlorophenyl)-(5-methylthiophen-2-yl)methanone

(4-amino-3,5-dichlorophenyl)-(5-methylthiophen-2-yl)methanone (PubChem CID 116609801) has the molecular formula C12H9Cl2NOS and a molecular weight of 286.18 g/mol. Its IUPAC name is (4-amino-3,5-dichlorophenyl)-(5-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name(4-amino-3,5-dichlorophenyl)-(5-methylthiophen-2-yl)methanone
PubChem CID116609801
Molecular FormulaC12H9Cl2NOS
Molecular Weight286.18 g/mol
Exact Mass284.98
IUPAC Name(4-amino-3,5-dichlorophenyl)-(5-methylthiophen-2-yl)methanone
SMILESCc1ccc(C(=O)c2cc(Cl)c(N)c(Cl)c2)s1
InChIInChI=1S/C12H9Cl2NOS/c1-6-2-3-10(17-6)12(16)7-4-8(13)11(15)9(14)5-7/h2-5H,15H2,1H3
InChIKeyAXPCGCAFDKSROI-UHFFFAOYSA-N
XLogP4.18
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.18
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-amino-3,5-dichlorophenyl)-(5-methylthiophen-2-yl)methanone?
The IUPAC name of (4-amino-3,5-dichlorophenyl)-(5-methylthiophen-2-yl)methanone (CID 116609801) is (4-amino-3,5-dichlorophenyl)-(5-methylthiophen-2-yl)methanone.
What is the SMILES notation for (4-amino-3,5-dichlorophenyl)-(5-methylthiophen-2-yl)methanone?
The canonical SMILES for (4-amino-3,5-dichlorophenyl)-(5-methylthiophen-2-yl)methanone is Cc1ccc(C(=O)c2cc(Cl)c(N)c(Cl)c2)s1.
What is the InChIKey of (4-amino-3,5-dichlorophenyl)-(5-methylthiophen-2-yl)methanone?
The InChIKey is AXPCGCAFDKSROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2NOS/c1-6-2-3-10(17-6)12(16)7-4-8(13)11(15)9(14)5-7/h2-5H,15H2,1H3.
What are the key properties of (4-amino-3,5-dichlorophenyl)-(5-methylthiophen-2-yl)methanone?
(4-amino-3,5-dichlorophenyl)-(5-methylthiophen-2-yl)methanone has a molecular weight of 286.18 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3,5-dichlorophenyl)-(5-methylthiophen-2-yl)methanone is sourced from PubChem (CID 116609801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).