N-(2-chloro-4-fluorophenyl)-2-[methyl(1-thiophen-2-ylethyl)amino]acetamide

C15H16ClFN2OS — CID 17402922

IUPACN-(2-chloro-4-fluorophenyl)-2-[methyl(1-thiophen-2-ylethyl)amino]acetamide
SMILESCC(c1cccs1)N(C)CC(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C15H16ClFN2OS/c1-10(14-4-3-7-21-14)19(2)9-15(20)18-13-6-5-11(17)8-12(13)16/h3-8,10H,9H2,1-2H3,(H,18,20)
InChIKeyXRIWATPFUSSVAR-UHFFFAOYSA-N
MW326.82 g/mol
LogP4.17
Rot. Bonds5

About N-(2-chloro-4-fluorophenyl)-2-[methyl(1-thiophen-2-ylethyl)amino]acetamide

N-(2-chloro-4-fluorophenyl)-2-[methyl(1-thiophen-2-ylethyl)amino]acetamide (PubChem CID 17402922) has the molecular formula C15H16ClFN2OS and a molecular weight of 326.82 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-2-[methyl(1-thiophen-2-ylethyl)amino]acetamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-2-[methyl(1-thiophen-2-ylethyl)amino]acetamide
PubChem CID17402922
Molecular FormulaC15H16ClFN2OS
Molecular Weight326.82 g/mol
Exact Mass326.07
IUPAC NameN-(2-chloro-4-fluorophenyl)-2-[methyl(1-thiophen-2-ylethyl)amino]acetamide
SMILESCC(c1cccs1)N(C)CC(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C15H16ClFN2OS/c1-10(14-4-3-7-21-14)19(2)9-15(20)18-13-6-5-11(17)8-12(13)16/h3-8,10H,9H2,1-2H3,(H,18,20)
InChIKeyXRIWATPFUSSVAR-UHFFFAOYSA-N
XLogP4.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.82
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-2-[methyl(1-thiophen-2-ylethyl)amino]acetamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-2-[methyl(1-thiophen-2-ylethyl)amino]acetamide (CID 17402922) is N-(2-chloro-4-fluorophenyl)-2-[methyl(1-thiophen-2-ylethyl)amino]acetamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-2-[methyl(1-thiophen-2-ylethyl)amino]acetamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-2-[methyl(1-thiophen-2-ylethyl)amino]acetamide is CC(c1cccs1)N(C)CC(=O)Nc1ccc(F)cc1Cl.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-2-[methyl(1-thiophen-2-ylethyl)amino]acetamide?
The InChIKey is XRIWATPFUSSVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2OS/c1-10(14-4-3-7-21-14)19(2)9-15(20)18-13-6-5-11(17)8-12(13)16/h3-8,10H,9H2,1-2H3,(H,18,20).
What are the key properties of N-(2-chloro-4-fluorophenyl)-2-[methyl(1-thiophen-2-ylethyl)amino]acetamide?
N-(2-chloro-4-fluorophenyl)-2-[methyl(1-thiophen-2-ylethyl)amino]acetamide has a molecular weight of 326.82 g/mol, XLogP of 4.17, 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(1-thiophen-2-ylethyl)amino]acetamide is sourced from PubChem (CID 17402922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).