N-[(5-tert-butylpyrazin-2-yl)carbamoyl]-2,6-dichlorobenzamide

C16H16Cl2N4O2 — CID 21313103

IUPACN-[(5-tert-butylpyrazin-2-yl)carbamoyl]-2,6-dichlorobenzamide
SMILESCC(C)(C)c1cnc(NC(=O)NC(=O)c2c(Cl)cccc2Cl)cn1
InChIInChI=1S/C16H16Cl2N4O2/c1-16(2,3)11-7-20-12(8-19-11)21-15(24)22-14(23)13-9(17)5-4-6-10(13)18/h4-8H,1-3H3,(H2,20,21,22,23,24)
InChIKeyXKHSYJSXVFDRIK-UHFFFAOYSA-N
MW367.24 g/mol
LogP4.04
Rot. Bonds2

About N-[(5-tert-butylpyrazin-2-yl)carbamoyl]-2,6-dichlorobenzamide

N-[(5-tert-butylpyrazin-2-yl)carbamoyl]-2,6-dichlorobenzamide (PubChem CID 21313103) has the molecular formula C16H16Cl2N4O2 and a molecular weight of 367.24 g/mol. Its IUPAC name is N-[(5-tert-butylpyrazin-2-yl)carbamoyl]-2,6-dichlorobenzamide.

Molecular Properties

Compound NameN-[(5-tert-butylpyrazin-2-yl)carbamoyl]-2,6-dichlorobenzamide
PubChem CID21313103
Molecular FormulaC16H16Cl2N4O2
Molecular Weight367.24 g/mol
Exact Mass366.07
IUPAC NameN-[(5-tert-butylpyrazin-2-yl)carbamoyl]-2,6-dichlorobenzamide
SMILESCC(C)(C)c1cnc(NC(=O)NC(=O)c2c(Cl)cccc2Cl)cn1
InChIInChI=1S/C16H16Cl2N4O2/c1-16(2,3)11-7-20-12(8-19-11)21-15(24)22-14(23)13-9(17)5-4-6-10(13)18/h4-8H,1-3H3,(H2,20,21,22,23,24)
InChIKeyXKHSYJSXVFDRIK-UHFFFAOYSA-N
XLogP4.04
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.24
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dichloro-N-[(5-chloropyrazin-2-yl)carbamoyl]benzamide
CID 21313073
2,6-dichloro-N-[(5-chloro-2-pyridinyl)carbamoyl]benzamide
CID 23345083
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-[(2-methylpyrazol-3-yl)carbamoyl]benzamide
CID 2808813
N-(5-tert-butylpyrazin-2-yl)-2-methylpropanamide
CID 135295974
2,6-dichloro-N-[[5-[3-chloro-5-(trifluoromethyl)phenoxy]-2-pyridinyl]carbamoyl]benzamide
CID 56980860
2,6-dichloro-N-[(6-phenyl-3-pyridinyl)carbamoyl]benzamide
CID 13242737
2-chloro-N-[[5-(4-chlorophenyl)pyrazin-2-yl]carbamoyl]benzamide
CID 13341093
2-chloro-N-[(5-nitropyrazin-2-yl)carbamoyl]benzamide
CID 20567047
2,6-dichloro-N-[[6-[2-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]benzamide
CID 12912773

Frequently Asked Questions

What is the IUPAC name of N-[(5-tert-butylpyrazin-2-yl)carbamoyl]-2,6-dichlorobenzamide?
The IUPAC name of N-[(5-tert-butylpyrazin-2-yl)carbamoyl]-2,6-dichlorobenzamide (CID 21313103) is N-[(5-tert-butylpyrazin-2-yl)carbamoyl]-2,6-dichlorobenzamide.
What is the SMILES notation for N-[(5-tert-butylpyrazin-2-yl)carbamoyl]-2,6-dichlorobenzamide?
The canonical SMILES for N-[(5-tert-butylpyrazin-2-yl)carbamoyl]-2,6-dichlorobenzamide is CC(C)(C)c1cnc(NC(=O)NC(=O)c2c(Cl)cccc2Cl)cn1.
What is the InChIKey of N-[(5-tert-butylpyrazin-2-yl)carbamoyl]-2,6-dichlorobenzamide?
The InChIKey is XKHSYJSXVFDRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N4O2/c1-16(2,3)11-7-20-12(8-19-11)21-15(24)22-14(23)13-9(17)5-4-6-10(13)18/h4-8H,1-3H3,(H2,20,21,22,23,24).
What are the key properties of N-[(5-tert-butylpyrazin-2-yl)carbamoyl]-2,6-dichlorobenzamide?
N-[(5-tert-butylpyrazin-2-yl)carbamoyl]-2,6-dichlorobenzamide has a molecular weight of 367.24 g/mol, XLogP of 4.04, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-tert-butylpyrazin-2-yl)carbamoyl]-2,6-dichlorobenzamide is sourced from PubChem (CID 21313103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).