N-(2-chloro-4-fluorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide

C14H14ClFN2OS — CID 4852470

IUPACN-(2-chloro-4-fluorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
SMILESCN(CC(=O)Nc1ccc(F)cc1Cl)Cc1cccs1
InChIInChI=1S/C14H14ClFN2OS/c1-18(8-11-3-2-6-20-11)9-14(19)17-13-5-4-10(16)7-12(13)15/h2-7H,8-9H2,1H3,(H,17,19)
InChIKeyANKSQBXBZFZZBE-UHFFFAOYSA-N
MW312.80 g/mol
LogP3.61
Rot. Bonds5

About N-(2-chloro-4-fluorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide

N-(2-chloro-4-fluorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide (PubChem CID 4852470) has the molecular formula C14H14ClFN2OS and a molecular weight of 312.80 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
PubChem CID4852470
Molecular FormulaC14H14ClFN2OS
Molecular Weight312.80 g/mol
Exact Mass312.05
IUPAC NameN-(2-chloro-4-fluorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
SMILESCN(CC(=O)Nc1ccc(F)cc1Cl)Cc1cccs1
InChIInChI=1S/C14H14ClFN2OS/c1-18(8-11-3-2-6-20-11)9-14(19)17-13-5-4-10(16)7-12(13)15/h2-7H,8-9H2,1H3,(H,17,19)
InChIKeyANKSQBXBZFZZBE-UHFFFAOYSA-N
XLogP3.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-chloro-4-fluorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide (CID 4852470) is N-(2-chloro-4-fluorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide is CN(CC(=O)Nc1ccc(F)cc1Cl)Cc1cccs1.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide?
The InChIKey is ANKSQBXBZFZZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2OS/c1-18(8-11-3-2-6-20-11)9-14(19)17-13-5-4-10(16)7-12(13)15/h2-7H,8-9H2,1H3,(H,17,19).
What are the key properties of N-(2-chloro-4-fluorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide?
N-(2-chloro-4-fluorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide has a molecular weight of 312.80 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide is sourced from PubChem (CID 4852470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).