N-[[5-(4-bromophenyl)-6-methylpyrazin-2-yl]carbamoyl]-2,6-difluorobenzamide

C19H13BrF2N4O2 — CID 21313138

IUPACN-[[5-(4-bromophenyl)-6-methylpyrazin-2-yl]carbamoyl]-2,6-difluorobenzamide
SMILESCc1nc(NC(=O)NC(=O)c2c(F)cccc2F)cnc1-c1ccc(Br)cc1
InChIInChI=1S/C19H13BrF2N4O2/c1-10-17(11-5-7-12(20)8-6-11)23-9-15(24-10)25-19(28)26-18(27)16-13(21)3-2-4-14(16)22/h2-9H,1H3,(H2,24,25,26,27,28)
InChIKeyJYVXVICDXXRKGL-UHFFFAOYSA-N
MW447.24 g/mol
LogP4.45
Rot. Bonds3

About N-[[5-(4-bromophenyl)-6-methylpyrazin-2-yl]carbamoyl]-2,6-difluorobenzamide

N-[[5-(4-bromophenyl)-6-methylpyrazin-2-yl]carbamoyl]-2,6-difluorobenzamide (PubChem CID 21313138) has the molecular formula C19H13BrF2N4O2 and a molecular weight of 447.24 g/mol. Its IUPAC name is N-[[5-(4-bromophenyl)-6-methylpyrazin-2-yl]carbamoyl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[[5-(4-bromophenyl)-6-methylpyrazin-2-yl]carbamoyl]-2,6-difluorobenzamide
PubChem CID21313138
Molecular FormulaC19H13BrF2N4O2
Molecular Weight447.24 g/mol
Exact Mass446.02
IUPAC NameN-[[5-(4-bromophenyl)-6-methylpyrazin-2-yl]carbamoyl]-2,6-difluorobenzamide
SMILESCc1nc(NC(=O)NC(=O)c2c(F)cccc2F)cnc1-c1ccc(Br)cc1
InChIInChI=1S/C19H13BrF2N4O2/c1-10-17(11-5-7-12(20)8-6-11)23-9-15(24-10)25-19(28)26-18(27)16-13(21)3-2-4-14(16)22/h2-9H,1H3,(H2,24,25,26,27,28)
InChIKeyJYVXVICDXXRKGL-UHFFFAOYSA-N
XLogP4.45
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.24
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-bromophenyl)-6-methylpyrazin-2-yl]carbamoyl]-2,6-difluorobenzamide?
The IUPAC name of N-[[5-(4-bromophenyl)-6-methylpyrazin-2-yl]carbamoyl]-2,6-difluorobenzamide (CID 21313138) is N-[[5-(4-bromophenyl)-6-methylpyrazin-2-yl]carbamoyl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[[5-(4-bromophenyl)-6-methylpyrazin-2-yl]carbamoyl]-2,6-difluorobenzamide?
The canonical SMILES for N-[[5-(4-bromophenyl)-6-methylpyrazin-2-yl]carbamoyl]-2,6-difluorobenzamide is Cc1nc(NC(=O)NC(=O)c2c(F)cccc2F)cnc1-c1ccc(Br)cc1.
What is the InChIKey of N-[[5-(4-bromophenyl)-6-methylpyrazin-2-yl]carbamoyl]-2,6-difluorobenzamide?
The InChIKey is JYVXVICDXXRKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrF2N4O2/c1-10-17(11-5-7-12(20)8-6-11)23-9-15(24-10)25-19(28)26-18(27)16-13(21)3-2-4-14(16)22/h2-9H,1H3,(H2,24,25,26,27,28).
What are the key properties of N-[[5-(4-bromophenyl)-6-methylpyrazin-2-yl]carbamoyl]-2,6-difluorobenzamide?
N-[[5-(4-bromophenyl)-6-methylpyrazin-2-yl]carbamoyl]-2,6-difluorobenzamide has a molecular weight of 447.24 g/mol, XLogP of 4.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-bromophenyl)-6-methylpyrazin-2-yl]carbamoyl]-2,6-difluorobenzamide is sourced from PubChem (CID 21313138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).