3,4-dichloro-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzamide

C19H16Cl2N2OS — CID 71781294

IUPAC3,4-dichloro-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzamide
SMILESO=C(c1ccc(Cl)c(Cl)c1)N(CCc1cccs1)Cc1cccnc1
InChIInChI=1S/C19H16Cl2N2OS/c20-17-6-5-15(11-18(17)21)19(24)23(9-7-16-4-2-10-25-16)13-14-3-1-8-22-12-14/h1-6,8,10-12H,7,9,13H2
InChIKeyAZTJPTAZOPAFCQ-UHFFFAOYSA-N
MW391.32 g/mol
LogP5.34
Rot. Bonds6

About 3,4-dichloro-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzamide

3,4-dichloro-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzamide (PubChem CID 71781294) has the molecular formula C19H16Cl2N2OS and a molecular weight of 391.32 g/mol. Its IUPAC name is 3,4-dichloro-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzamide
PubChem CID71781294
Molecular FormulaC19H16Cl2N2OS
Molecular Weight391.32 g/mol
Exact Mass390.04
IUPAC Name3,4-dichloro-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzamide
SMILESO=C(c1ccc(Cl)c(Cl)c1)N(CCc1cccs1)Cc1cccnc1
InChIInChI=1S/C19H16Cl2N2OS/c20-17-6-5-15(11-18(17)21)19(24)23(9-7-16-4-2-10-25-16)13-14-3-1-8-22-12-14/h1-6,8,10-12H,7,9,13H2
InChIKeyAZTJPTAZOPAFCQ-UHFFFAOYSA-N
XLogP5.34
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.32
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzamide?
The IUPAC name of 3,4-dichloro-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzamide (CID 71781294) is 3,4-dichloro-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzamide.
What is the SMILES notation for 3,4-dichloro-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzamide?
The canonical SMILES for 3,4-dichloro-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzamide is O=C(c1ccc(Cl)c(Cl)c1)N(CCc1cccs1)Cc1cccnc1.
What is the InChIKey of 3,4-dichloro-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzamide?
The InChIKey is AZTJPTAZOPAFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N2OS/c20-17-6-5-15(11-18(17)21)19(24)23(9-7-16-4-2-10-25-16)13-14-3-1-8-22-12-14/h1-6,8,10-12H,7,9,13H2.
What are the key properties of 3,4-dichloro-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzamide?
3,4-dichloro-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzamide has a molecular weight of 391.32 g/mol, XLogP of 5.34, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzamide is sourced from PubChem (CID 71781294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).