5-(4-chlorophenyl)-3-N-(1-pyrazin-2-ylethyl)benzene-1,3-dicarboxamide

C20H17ClN4O2 — CID 68779214

IUPAC5-(4-chlorophenyl)-3-N-(1-pyrazin-2-ylethyl)benzene-1,3-dicarboxamide
SMILESCC(NC(=O)c1cc(C(N)=O)cc(-c2ccc(Cl)cc2)c1)c1cnccn1
InChIInChI=1S/C20H17ClN4O2/c1-12(18-11-23-6-7-24-18)25-20(27)16-9-14(8-15(10-16)19(22)26)13-2-4-17(21)5-3-13/h2-12H,1H3,(H2,22,26)(H,25,27)
InChIKeyRWSFFNJSLDMEBQ-UHFFFAOYSA-N
MW380.84 g/mol
LogP3.39
Rot. Bonds5

About 5-(4-chlorophenyl)-3-N-(1-pyrazin-2-ylethyl)benzene-1,3-dicarboxamide

5-(4-chlorophenyl)-3-N-(1-pyrazin-2-ylethyl)benzene-1,3-dicarboxamide (PubChem CID 68779214) has the molecular formula C20H17ClN4O2 and a molecular weight of 380.84 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-N-(1-pyrazin-2-ylethyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-N-(1-pyrazin-2-ylethyl)benzene-1,3-dicarboxamide
PubChem CID68779214
Molecular FormulaC20H17ClN4O2
Molecular Weight380.84 g/mol
Exact Mass380.10
IUPAC Name5-(4-chlorophenyl)-3-N-(1-pyrazin-2-ylethyl)benzene-1,3-dicarboxamide
SMILESCC(NC(=O)c1cc(C(N)=O)cc(-c2ccc(Cl)cc2)c1)c1cnccn1
InChIInChI=1S/C20H17ClN4O2/c1-12(18-11-23-6-7-24-18)25-20(27)16-9-14(8-15(10-16)19(22)26)13-2-4-17(21)5-3-13/h2-12H,1H3,(H2,22,26)(H,25,27)
InChIKeyRWSFFNJSLDMEBQ-UHFFFAOYSA-N
XLogP3.39
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.84
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-3-N-(1-pyrazin-2-ylethyl)benzene-1,3-dicarboxamide?
The IUPAC name of 5-(4-chlorophenyl)-3-N-(1-pyrazin-2-ylethyl)benzene-1,3-dicarboxamide (CID 68779214) is 5-(4-chlorophenyl)-3-N-(1-pyrazin-2-ylethyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-3-N-(1-pyrazin-2-ylethyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-3-N-(1-pyrazin-2-ylethyl)benzene-1,3-dicarboxamide is CC(NC(=O)c1cc(C(N)=O)cc(-c2ccc(Cl)cc2)c1)c1cnccn1.
What is the InChIKey of 5-(4-chlorophenyl)-3-N-(1-pyrazin-2-ylethyl)benzene-1,3-dicarboxamide?
The InChIKey is RWSFFNJSLDMEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O2/c1-12(18-11-23-6-7-24-18)25-20(27)16-9-14(8-15(10-16)19(22)26)13-2-4-17(21)5-3-13/h2-12H,1H3,(H2,22,26)(H,25,27).
What are the key properties of 5-(4-chlorophenyl)-3-N-(1-pyrazin-2-ylethyl)benzene-1,3-dicarboxamide?
5-(4-chlorophenyl)-3-N-(1-pyrazin-2-ylethyl)benzene-1,3-dicarboxamide has a molecular weight of 380.84 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3-N-(1-pyrazin-2-ylethyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 68779214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).