2-chloro-N-(4-thiophen-2-ylpyrimidin-2-yl)benzamide

C15H10ClN3OS — CID 3421246

IUPAC2-chloro-N-(4-thiophen-2-ylpyrimidin-2-yl)benzamide
SMILESO=C(Nc1nccc(-c2cccs2)n1)c1ccccc1Cl
InChIInChI=1S/C15H10ClN3OS/c16-11-5-2-1-4-10(11)14(20)19-15-17-8-7-12(18-15)13-6-3-9-21-13/h1-9H,(H,17,18,19,20)
InChIKeyDXDDOTFZWBKORZ-UHFFFAOYSA-N
MW315.79 g/mol
LogP4.11
Rot. Bonds3

About 2-chloro-N-(4-thiophen-2-ylpyrimidin-2-yl)benzamide

2-chloro-N-(4-thiophen-2-ylpyrimidin-2-yl)benzamide (PubChem CID 3421246) has the molecular formula C15H10ClN3OS and a molecular weight of 315.79 g/mol. Its IUPAC name is 2-chloro-N-(4-thiophen-2-ylpyrimidin-2-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(4-thiophen-2-ylpyrimidin-2-yl)benzamide
PubChem CID3421246
Molecular FormulaC15H10ClN3OS
Molecular Weight315.79 g/mol
Exact Mass315.02
IUPAC Name2-chloro-N-(4-thiophen-2-ylpyrimidin-2-yl)benzamide
SMILESO=C(Nc1nccc(-c2cccs2)n1)c1ccccc1Cl
InChIInChI=1S/C15H10ClN3OS/c16-11-5-2-1-4-10(11)14(20)19-15-17-8-7-12(18-15)13-6-3-9-21-13/h1-9H,(H,17,18,19,20)
InChIKeyDXDDOTFZWBKORZ-UHFFFAOYSA-N
XLogP4.11
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.79
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-thiophen-2-ylpyrimidin-2-yl)benzamide?
The IUPAC name of 2-chloro-N-(4-thiophen-2-ylpyrimidin-2-yl)benzamide (CID 3421246) is 2-chloro-N-(4-thiophen-2-ylpyrimidin-2-yl)benzamide.
What is the SMILES notation for 2-chloro-N-(4-thiophen-2-ylpyrimidin-2-yl)benzamide?
The canonical SMILES for 2-chloro-N-(4-thiophen-2-ylpyrimidin-2-yl)benzamide is O=C(Nc1nccc(-c2cccs2)n1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-(4-thiophen-2-ylpyrimidin-2-yl)benzamide?
The InChIKey is DXDDOTFZWBKORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN3OS/c16-11-5-2-1-4-10(11)14(20)19-15-17-8-7-12(18-15)13-6-3-9-21-13/h1-9H,(H,17,18,19,20).
What are the key properties of 2-chloro-N-(4-thiophen-2-ylpyrimidin-2-yl)benzamide?
2-chloro-N-(4-thiophen-2-ylpyrimidin-2-yl)benzamide has a molecular weight of 315.79 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-thiophen-2-ylpyrimidin-2-yl)benzamide is sourced from PubChem (CID 3421246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).