2,6-dichloro-N-[(5-chloropyrazin-2-yl)carbamoyl]benzamide

C12H7Cl3N4O2 — CID 21313073

IUPAC2,6-dichloro-N-[(5-chloropyrazin-2-yl)carbamoyl]benzamide
SMILESO=C(NC(=O)c1c(Cl)cccc1Cl)Nc1cnc(Cl)cn1
InChIInChI=1S/C12H7Cl3N4O2/c13-6-2-1-3-7(14)10(6)11(20)19-12(21)18-9-5-16-8(15)4-17-9/h1-5H,(H2,17,18,19,20,21)
InChIKeyOUEBNNVVDYNTLX-UHFFFAOYSA-N
MW345.57 g/mol
LogP3.40
Rot. Bonds2

About 2,6-dichloro-N-[(5-chloropyrazin-2-yl)carbamoyl]benzamide

2,6-dichloro-N-[(5-chloropyrazin-2-yl)carbamoyl]benzamide (PubChem CID 21313073) has the molecular formula C12H7Cl3N4O2 and a molecular weight of 345.57 g/mol. Its IUPAC name is 2,6-dichloro-N-[(5-chloropyrazin-2-yl)carbamoyl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[(5-chloropyrazin-2-yl)carbamoyl]benzamide
PubChem CID21313073
Molecular FormulaC12H7Cl3N4O2
Molecular Weight345.57 g/mol
Exact Mass343.96
IUPAC Name2,6-dichloro-N-[(5-chloropyrazin-2-yl)carbamoyl]benzamide
SMILESO=C(NC(=O)c1c(Cl)cccc1Cl)Nc1cnc(Cl)cn1
InChIInChI=1S/C12H7Cl3N4O2/c13-6-2-1-3-7(14)10(6)11(20)19-12(21)18-9-5-16-8(15)4-17-9/h1-5H,(H2,17,18,19,20,21)
InChIKeyOUEBNNVVDYNTLX-UHFFFAOYSA-N
XLogP3.40
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.57
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dichloro-N-[(5-chloro-2-pyridinyl)carbamoyl]benzamide
CID 23345083
N-[(5-tert-butylpyrazin-2-yl)carbamoyl]-2,6-dichlorobenzamide
CID 21313103
2,6-dichloro-N-[(6-chloroquinoxalin-2-yl)carbamoyl]benzamide
CID 21313128
2,6-dichloro-N-[[5-(3,4-dichlorophenyl)sulfanyl-2-pyridinyl]carbamoyl]benzamide
CID 12912898
2,6-dichloro-N-[[5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]carbamoyl]benzamide
CID 13242668
2,6-dichloro-N-(6-chloro-3-pyridinyl)benzamide
CID 113247998
N-(5-chloropyrazin-2-yl)thiophene-2-carboxamide
CID 104964135
2,6-dichloro-N-[(6-phenyl-3-pyridinyl)carbamoyl]benzamide
CID 13242737
2,6-dichloro-N-[(2-methylpyrazol-3-yl)carbamoyl]benzamide
CID 2808813
N-(5-chloropyrazin-2-yl)-2-hydroxybenzamide
CID 107595825
2-chloro-N-[(5-nitropyrazin-2-yl)carbamoyl]benzamide
CID 20567047
2-chloro-N-[[5-(4-chlorophenyl)pyrazin-2-yl]carbamoyl]benzamide
CID 13341093

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[(5-chloropyrazin-2-yl)carbamoyl]benzamide?
The IUPAC name of 2,6-dichloro-N-[(5-chloropyrazin-2-yl)carbamoyl]benzamide (CID 21313073) is 2,6-dichloro-N-[(5-chloropyrazin-2-yl)carbamoyl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[(5-chloropyrazin-2-yl)carbamoyl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[(5-chloropyrazin-2-yl)carbamoyl]benzamide is O=C(NC(=O)c1c(Cl)cccc1Cl)Nc1cnc(Cl)cn1.
What is the InChIKey of 2,6-dichloro-N-[(5-chloropyrazin-2-yl)carbamoyl]benzamide?
The InChIKey is OUEBNNVVDYNTLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl3N4O2/c13-6-2-1-3-7(14)10(6)11(20)19-12(21)18-9-5-16-8(15)4-17-9/h1-5H,(H2,17,18,19,20,21).
What are the key properties of 2,6-dichloro-N-[(5-chloropyrazin-2-yl)carbamoyl]benzamide?
2,6-dichloro-N-[(5-chloropyrazin-2-yl)carbamoyl]benzamide has a molecular weight of 345.57 g/mol, XLogP of 3.40, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[(5-chloropyrazin-2-yl)carbamoyl]benzamide is sourced from PubChem (CID 21313073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).