4-chloro-N-(2-cyanoethyl)-N-(thiophen-2-ylmethyl)benzamide

C15H13ClN2OS — CID 2813036

IUPAC4-chloro-N-(2-cyanoethyl)-N-(thiophen-2-ylmethyl)benzamide
SMILESN#CCCN(Cc1cccs1)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H13ClN2OS/c16-13-6-4-12(5-7-13)15(19)18(9-2-8-17)11-14-3-1-10-20-14/h1,3-7,10H,2,9,11H2
InChIKeyYHSKRUJUVJXGOE-UHFFFAOYSA-N
MW304.80 g/mol
LogP3.96
Rot. Bonds5

About 4-chloro-N-(2-cyanoethyl)-N-(thiophen-2-ylmethyl)benzamide

4-chloro-N-(2-cyanoethyl)-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 2813036) has the molecular formula C15H13ClN2OS and a molecular weight of 304.80 g/mol. Its IUPAC name is 4-chloro-N-(2-cyanoethyl)-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(2-cyanoethyl)-N-(thiophen-2-ylmethyl)benzamide
PubChem CID2813036
Molecular FormulaC15H13ClN2OS
Molecular Weight304.80 g/mol
Exact Mass304.04
IUPAC Name4-chloro-N-(2-cyanoethyl)-N-(thiophen-2-ylmethyl)benzamide
SMILESN#CCCN(Cc1cccs1)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H13ClN2OS/c16-13-6-4-12(5-7-13)15(19)18(9-2-8-17)11-14-3-1-10-20-14/h1,3-7,10H,2,9,11H2
InChIKeyYHSKRUJUVJXGOE-UHFFFAOYSA-N
XLogP3.96
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-cyanoethyl)-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 4-chloro-N-(2-cyanoethyl)-N-(thiophen-2-ylmethyl)benzamide (CID 2813036) is 4-chloro-N-(2-cyanoethyl)-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 4-chloro-N-(2-cyanoethyl)-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 4-chloro-N-(2-cyanoethyl)-N-(thiophen-2-ylmethyl)benzamide is N#CCCN(Cc1cccs1)C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(2-cyanoethyl)-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is YHSKRUJUVJXGOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2OS/c16-13-6-4-12(5-7-13)15(19)18(9-2-8-17)11-14-3-1-10-20-14/h1,3-7,10H,2,9,11H2.
What are the key properties of 4-chloro-N-(2-cyanoethyl)-N-(thiophen-2-ylmethyl)benzamide?
4-chloro-N-(2-cyanoethyl)-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 304.80 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-cyanoethyl)-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 2813036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).