2-chloro-N-[2-(diethylamino)-2-thiophen-2-ylethyl]-6-fluorobenzamide

C17H20ClFN2OS — CID 112503956

IUPAC2-chloro-N-[2-(diethylamino)-2-thiophen-2-ylethyl]-6-fluorobenzamide
SMILESCCN(CC)C(CNC(=O)c1c(F)cccc1Cl)c1cccs1
InChIInChI=1S/C17H20ClFN2OS/c1-3-21(4-2)14(15-9-6-10-23-15)11-20-17(22)16-12(18)7-5-8-13(16)19/h5-10,14H,3-4,11H2,1-2H3,(H,20,22)
InChIKeyXODJHVRTBLKKKV-UHFFFAOYSA-N
MW354.88 g/mol
LogP4.35
Rot. Bonds7

About 2-chloro-N-[2-(diethylamino)-2-thiophen-2-ylethyl]-6-fluorobenzamide

2-chloro-N-[2-(diethylamino)-2-thiophen-2-ylethyl]-6-fluorobenzamide (PubChem CID 112503956) has the molecular formula C17H20ClFN2OS and a molecular weight of 354.88 g/mol. Its IUPAC name is 2-chloro-N-[2-(diethylamino)-2-thiophen-2-ylethyl]-6-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(diethylamino)-2-thiophen-2-ylethyl]-6-fluorobenzamide
PubChem CID112503956
Molecular FormulaC17H20ClFN2OS
Molecular Weight354.88 g/mol
Exact Mass354.10
IUPAC Name2-chloro-N-[2-(diethylamino)-2-thiophen-2-ylethyl]-6-fluorobenzamide
SMILESCCN(CC)C(CNC(=O)c1c(F)cccc1Cl)c1cccs1
InChIInChI=1S/C17H20ClFN2OS/c1-3-21(4-2)14(15-9-6-10-23-15)11-20-17(22)16-12(18)7-5-8-13(16)19/h5-10,14H,3-4,11H2,1-2H3,(H,20,22)
InChIKeyXODJHVRTBLKKKV-UHFFFAOYSA-N
XLogP4.35
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.88
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(diethylamino)-2-thiophen-2-ylethyl]-3-methylbenzamide
CID 112503925
2-chloro-6-fluoro-N-(2-oxo-2-thiophen-2-ylethyl)benzamide
CID 75357568
2-chloro-6-fluoro-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide
CID 121019313
2,6-dichloro-N-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]benzamide
CID 97076524
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-fluorobenzamide
CID 18161749
N-[2-(diethylamino)-2-thiophen-2-ylethyl]-4-(2-fluorophenyl)-4-oxobutanamide
CID 110621995
N-[2-(4-chlorophenyl)-2-(diethylamino)ethyl]-2-fluorobenzamide
CID 112503768
2-chloro-N-(4-chloro-2-methylbutyl)-6-fluorobenzamide
CID 114306163
2-chloro-6-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide
CID 52992615
N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2,6-dimethoxybenzamide
CID 30834274
3-[(2-chloro-6-fluorobenzoyl)amino]-2-methoxypropanoic acid
CID 106107187
2-chloro-N-[2-[(2,2-dichloroacetyl)amino]ethyl]-6-fluorobenzamide
CID 108575168

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(diethylamino)-2-thiophen-2-ylethyl]-6-fluorobenzamide?
The IUPAC name of 2-chloro-N-[2-(diethylamino)-2-thiophen-2-ylethyl]-6-fluorobenzamide (CID 112503956) is 2-chloro-N-[2-(diethylamino)-2-thiophen-2-ylethyl]-6-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-[2-(diethylamino)-2-thiophen-2-ylethyl]-6-fluorobenzamide?
The canonical SMILES for 2-chloro-N-[2-(diethylamino)-2-thiophen-2-ylethyl]-6-fluorobenzamide is CCN(CC)C(CNC(=O)c1c(F)cccc1Cl)c1cccs1.
What is the InChIKey of 2-chloro-N-[2-(diethylamino)-2-thiophen-2-ylethyl]-6-fluorobenzamide?
The InChIKey is XODJHVRTBLKKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClFN2OS/c1-3-21(4-2)14(15-9-6-10-23-15)11-20-17(22)16-12(18)7-5-8-13(16)19/h5-10,14H,3-4,11H2,1-2H3,(H,20,22).
What are the key properties of 2-chloro-N-[2-(diethylamino)-2-thiophen-2-ylethyl]-6-fluorobenzamide?
2-chloro-N-[2-(diethylamino)-2-thiophen-2-ylethyl]-6-fluorobenzamide has a molecular weight of 354.88 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(diethylamino)-2-thiophen-2-ylethyl]-6-fluorobenzamide is sourced from PubChem (CID 112503956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).