N-[(5-benzyl-6-chloropyrazin-2-yl)carbamoyl]-2-methylbenzamide

C20H17ClN4O2 — CID 20567062

IUPACN-[(5-benzyl-6-chloropyrazin-2-yl)carbamoyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC(=O)Nc1cnc(Cc2ccccc2)c(Cl)n1
InChIInChI=1S/C20H17ClN4O2/c1-13-7-5-6-10-15(13)19(26)25-20(27)24-17-12-22-16(18(21)23-17)11-14-8-3-2-4-9-14/h2-10,12H,11H2,1H3,(H2,23,24,25,26,27)
InChIKeyUGJMSGSIDRFEEF-UHFFFAOYSA-N
MW380.84 g/mol
LogP3.99
Rot. Bonds4

About N-[(5-benzyl-6-chloropyrazin-2-yl)carbamoyl]-2-methylbenzamide

N-[(5-benzyl-6-chloropyrazin-2-yl)carbamoyl]-2-methylbenzamide (PubChem CID 20567062) has the molecular formula C20H17ClN4O2 and a molecular weight of 380.84 g/mol. Its IUPAC name is N-[(5-benzyl-6-chloropyrazin-2-yl)carbamoyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[(5-benzyl-6-chloropyrazin-2-yl)carbamoyl]-2-methylbenzamide
PubChem CID20567062
Molecular FormulaC20H17ClN4O2
Molecular Weight380.84 g/mol
Exact Mass380.10
IUPAC NameN-[(5-benzyl-6-chloropyrazin-2-yl)carbamoyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC(=O)Nc1cnc(Cc2ccccc2)c(Cl)n1
InChIInChI=1S/C20H17ClN4O2/c1-13-7-5-6-10-15(13)19(26)25-20(27)24-17-12-22-16(18(21)23-17)11-14-8-3-2-4-9-14/h2-10,12H,11H2,1H3,(H2,23,24,25,26,27)
InChIKeyUGJMSGSIDRFEEF-UHFFFAOYSA-N
XLogP3.99
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.84
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-benzyl-6-chloropyrazin-2-yl)carbamoyl]-2-methylbenzamide?
The IUPAC name of N-[(5-benzyl-6-chloropyrazin-2-yl)carbamoyl]-2-methylbenzamide (CID 20567062) is N-[(5-benzyl-6-chloropyrazin-2-yl)carbamoyl]-2-methylbenzamide.
What is the SMILES notation for N-[(5-benzyl-6-chloropyrazin-2-yl)carbamoyl]-2-methylbenzamide?
The canonical SMILES for N-[(5-benzyl-6-chloropyrazin-2-yl)carbamoyl]-2-methylbenzamide is Cc1ccccc1C(=O)NC(=O)Nc1cnc(Cc2ccccc2)c(Cl)n1.
What is the InChIKey of N-[(5-benzyl-6-chloropyrazin-2-yl)carbamoyl]-2-methylbenzamide?
The InChIKey is UGJMSGSIDRFEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O2/c1-13-7-5-6-10-15(13)19(26)25-20(27)24-17-12-22-16(18(21)23-17)11-14-8-3-2-4-9-14/h2-10,12H,11H2,1H3,(H2,23,24,25,26,27).
What are the key properties of N-[(5-benzyl-6-chloropyrazin-2-yl)carbamoyl]-2-methylbenzamide?
N-[(5-benzyl-6-chloropyrazin-2-yl)carbamoyl]-2-methylbenzamide has a molecular weight of 380.84 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-benzyl-6-chloropyrazin-2-yl)carbamoyl]-2-methylbenzamide is sourced from PubChem (CID 20567062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).