2-chloro-N-(3-chloro-2-methylphenyl)-N-(thiophen-2-ylmethyl)acetamide

C14H13Cl2NOS — CID 39456181

IUPAC2-chloro-N-(3-chloro-2-methylphenyl)-N-(thiophen-2-ylmethyl)acetamide
SMILESCc1c(Cl)cccc1N(Cc1cccs1)C(=O)CCl
InChIInChI=1S/C14H13Cl2NOS/c1-10-12(16)5-2-6-13(10)17(14(18)8-15)9-11-4-3-7-19-11/h2-7H,8-9H2,1H3
InChIKeyDMWRQEIVLWPVRW-UHFFFAOYSA-N
MW314.24 g/mol
LogP4.48
Rot. Bonds4

About 2-chloro-N-(3-chloro-2-methylphenyl)-N-(thiophen-2-ylmethyl)acetamide

2-chloro-N-(3-chloro-2-methylphenyl)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 39456181) has the molecular formula C14H13Cl2NOS and a molecular weight of 314.24 g/mol. Its IUPAC name is 2-chloro-N-(3-chloro-2-methylphenyl)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(3-chloro-2-methylphenyl)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID39456181
Molecular FormulaC14H13Cl2NOS
Molecular Weight314.24 g/mol
Exact Mass313.01
IUPAC Name2-chloro-N-(3-chloro-2-methylphenyl)-N-(thiophen-2-ylmethyl)acetamide
SMILESCc1c(Cl)cccc1N(Cc1cccs1)C(=O)CCl
InChIInChI=1S/C14H13Cl2NOS/c1-10-12(16)5-2-6-13(10)17(14(18)8-15)9-11-4-3-7-19-11/h2-7H,8-9H2,1H3
InChIKeyDMWRQEIVLWPVRW-UHFFFAOYSA-N
XLogP4.48
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.24
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chloro-N-(3-chloro-2-methylphenyl)-N-(thiophen-2-ylmethyl)acetamide 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

2-chloro-N-(2-methylphenyl)-N-(thiophen-2-ylmethyl)acetamide
CID 39380130
2-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 39248066
N-(2-chlorophenyl)-2-ethoxy-N-(thiophen-2-ylmethyl)benzamide
CID 35341413
2-chloro-N-(2,3-dimethylphenyl)-N-[(3-methylphenyl)methyl]acetamide
CID 39425799
N-(3-chloro-2-methylphenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide
CID 8717964
N-[2-(N-acetyl-3-chloro-2-methylanilino)ethyl]acetamide
CID 113059707
N-butyl-2-chloro-N-(thiophen-2-ylmethyl)acetamide
CID 15063295
2-(3-chloro-2-methylanilino)-N-(2-thiophen-2-ylethyl)acetamide
CID 31666457
N-(2,6-dichlorophenyl)-2-[methyl-[2-[methyl(thiophen-2-ylmethyl)amino]acetyl]amino]acetamide
CID 8965206
2-[(2-chlorophenyl)methyl-methylamino]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 78788041
2-[(3-chloro-2-methylphenyl)methyl]thiophene
CID 174830599
3-chloro-N-(3,4-dimethylphenyl)-N-(thiophen-2-ylmethyl)benzamide
CID 17014005

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-chloro-2-methylphenyl)-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-chloro-N-(3-chloro-2-methylphenyl)-N-(thiophen-2-ylmethyl)acetamide (CID 39456181) is 2-chloro-N-(3-chloro-2-methylphenyl)-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-chloro-N-(3-chloro-2-methylphenyl)-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-chloro-N-(3-chloro-2-methylphenyl)-N-(thiophen-2-ylmethyl)acetamide is Cc1c(Cl)cccc1N(Cc1cccs1)C(=O)CCl.
What is the InChIKey of 2-chloro-N-(3-chloro-2-methylphenyl)-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is DMWRQEIVLWPVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NOS/c1-10-12(16)5-2-6-13(10)17(14(18)8-15)9-11-4-3-7-19-11/h2-7H,8-9H2,1H3.
What are the key properties of 2-chloro-N-(3-chloro-2-methylphenyl)-N-(thiophen-2-ylmethyl)acetamide?
2-chloro-N-(3-chloro-2-methylphenyl)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 314.24 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-chloro-2-methylphenyl)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 39456181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).