2-chloro-N-[3-(4-chlorobenzoyl)-5-methylthiophen-2-yl]acetamide

C14H11Cl2NO2S — CID 859632

IUPAC2-chloro-N-[3-(4-chlorobenzoyl)-5-methylthiophen-2-yl]acetamide
SMILESCc1cc(C(=O)c2ccc(Cl)cc2)c(NC(=O)CCl)s1
InChIInChI=1S/C14H11Cl2NO2S/c1-8-6-11(14(20-8)17-12(18)7-15)13(19)9-2-4-10(16)5-3-9/h2-6H,7H2,1H3,(H,17,18)
InChIKeyBMKCSOXBJWYBOI-UHFFFAOYSA-N
MW328.22 g/mol
LogP4.12
Rot. Bonds4

About 2-chloro-N-[3-(4-chlorobenzoyl)-5-methylthiophen-2-yl]acetamide

2-chloro-N-[3-(4-chlorobenzoyl)-5-methylthiophen-2-yl]acetamide (PubChem CID 859632) has the molecular formula C14H11Cl2NO2S and a molecular weight of 328.22 g/mol. Its IUPAC name is 2-chloro-N-[3-(4-chlorobenzoyl)-5-methylthiophen-2-yl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[3-(4-chlorobenzoyl)-5-methylthiophen-2-yl]acetamide
PubChem CID859632
Molecular FormulaC14H11Cl2NO2S
Molecular Weight328.22 g/mol
Exact Mass326.99
IUPAC Name2-chloro-N-[3-(4-chlorobenzoyl)-5-methylthiophen-2-yl]acetamide
SMILESCc1cc(C(=O)c2ccc(Cl)cc2)c(NC(=O)CCl)s1
InChIInChI=1S/C14H11Cl2NO2S/c1-8-6-11(14(20-8)17-12(18)7-15)13(19)9-2-4-10(16)5-3-9/h2-6H,7H2,1H3,(H,17,18)
InChIKeyBMKCSOXBJWYBOI-UHFFFAOYSA-N
XLogP4.12
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.22
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(4-chlorobenzoyl)-5-methylthiophen-2-yl]acetamide?
The IUPAC name of 2-chloro-N-[3-(4-chlorobenzoyl)-5-methylthiophen-2-yl]acetamide (CID 859632) is 2-chloro-N-[3-(4-chlorobenzoyl)-5-methylthiophen-2-yl]acetamide.
What is the SMILES notation for 2-chloro-N-[3-(4-chlorobenzoyl)-5-methylthiophen-2-yl]acetamide?
The canonical SMILES for 2-chloro-N-[3-(4-chlorobenzoyl)-5-methylthiophen-2-yl]acetamide is Cc1cc(C(=O)c2ccc(Cl)cc2)c(NC(=O)CCl)s1.
What is the InChIKey of 2-chloro-N-[3-(4-chlorobenzoyl)-5-methylthiophen-2-yl]acetamide?
The InChIKey is BMKCSOXBJWYBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NO2S/c1-8-6-11(14(20-8)17-12(18)7-15)13(19)9-2-4-10(16)5-3-9/h2-6H,7H2,1H3,(H,17,18).
What are the key properties of 2-chloro-N-[3-(4-chlorobenzoyl)-5-methylthiophen-2-yl]acetamide?
2-chloro-N-[3-(4-chlorobenzoyl)-5-methylthiophen-2-yl]acetamide has a molecular weight of 328.22 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(4-chlorobenzoyl)-5-methylthiophen-2-yl]acetamide is sourced from PubChem (CID 859632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).