N-[(2,4-dichlorophenyl)methyl]-2-thiophen-2-ylacetamide

C13H11Cl2NOS — CID 975473

IUPACN-[(2,4-dichlorophenyl)methyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H11Cl2NOS/c14-10-4-3-9(12(15)6-10)8-16-13(17)7-11-2-1-5-18-11/h1-6H,7-8H2,(H,16,17)
InChIKeyDXFVFPJVWXQHLI-UHFFFAOYSA-N
MW300.21 g/mol
LogP3.91
Rot. Bonds4

About N-[(2,4-dichlorophenyl)methyl]-2-thiophen-2-ylacetamide

N-[(2,4-dichlorophenyl)methyl]-2-thiophen-2-ylacetamide (PubChem CID 975473) has the molecular formula C13H11Cl2NOS and a molecular weight of 300.21 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-2-thiophen-2-ylacetamide
PubChem CID975473
Molecular FormulaC13H11Cl2NOS
Molecular Weight300.21 g/mol
Exact Mass298.99
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H11Cl2NOS/c14-10-4-3-9(12(15)6-10)8-16-13(17)7-11-2-1-5-18-11/h1-6H,7-8H2,(H,16,17)
InChIKeyDXFVFPJVWXQHLI-UHFFFAOYSA-N
XLogP3.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.21
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]thiophene-2-carboxamide
CID 2805179
N-[2-(4-chlorophenyl)-2-oxoethyl]thiophene-2-carboxamide
CID 856372
4-chloro-N-[2-(thiophen-2-yl)ethyl]benzamide
CID 2732263
N-[2-(4-chlorophenyl)ethyl]-2-thiophen-2-ylacetamide
CID 1245406
N-[(2-chlorophenyl)methyl]-3-methylthiophene-2-carboxamide
CID 2481080
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-methylthiophene-2-carboxamide
CID 2532766
2,4-dichloro-N-(6-oxo-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)benzenecarboxamide
CID 4266221
3-[(2-chlorophenyl)methylsulfanyl]-N-(thiophen-2-ylmethyl)propanamide
CID 4988112
3-[(4-chlorobenzyl)thio]-N-(thien-2-ylmethyl)propanamide
CID 5179108
2-chloro-N-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]benzamide
CID 9507811
N-[1-(4-chlorophenyl)ethyl]-2-thiophenecarboxamide
CID 11838961
3,4-dichloro-N-(2-thiophen-2-ylethyl)benzamide
CID 1511025

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2-thiophen-2-ylacetamide (CID 975473) is N-[(2,4-dichlorophenyl)methyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)NCc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-2-thiophen-2-ylacetamide?
The InChIKey is DXFVFPJVWXQHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NOS/c14-10-4-3-9(12(15)6-10)8-16-13(17)7-11-2-1-5-18-11/h1-6H,7-8H2,(H,16,17).
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-2-thiophen-2-ylacetamide?
N-[(2,4-dichlorophenyl)methyl]-2-thiophen-2-ylacetamide has a molecular weight of 300.21 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 975473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).