4-chloro-N-(3,5-dibromopyrazin-2-yl)benzamide

C11H6Br2ClN3O — CID 113255851

IUPAC4-chloro-N-(3,5-dibromopyrazin-2-yl)benzamide
SMILESO=C(Nc1ncc(Br)nc1Br)c1ccc(Cl)cc1
InChIInChI=1S/C11H6Br2ClN3O/c12-8-5-15-10(9(13)16-8)17-11(18)6-1-3-7(14)4-2-6/h1-5H,(H,15,17,18)
InChIKeyCMWXPROUJCPXDJ-UHFFFAOYSA-N
MW391.45 g/mol
LogP3.91
Rot. Bonds2

About 4-chloro-N-(3,5-dibromopyrazin-2-yl)benzamide

4-chloro-N-(3,5-dibromopyrazin-2-yl)benzamide (PubChem CID 113255851) has the molecular formula C11H6Br2ClN3O and a molecular weight of 391.45 g/mol. Its IUPAC name is 4-chloro-N-(3,5-dibromopyrazin-2-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(3,5-dibromopyrazin-2-yl)benzamide
PubChem CID113255851
Molecular FormulaC11H6Br2ClN3O
Molecular Weight391.45 g/mol
Exact Mass388.86
IUPAC Name4-chloro-N-(3,5-dibromopyrazin-2-yl)benzamide
SMILESO=C(Nc1ncc(Br)nc1Br)c1ccc(Cl)cc1
InChIInChI=1S/C11H6Br2ClN3O/c12-8-5-15-10(9(13)16-8)17-11(18)6-1-3-7(14)4-2-6/h1-5H,(H,15,17,18)
InChIKeyCMWXPROUJCPXDJ-UHFFFAOYSA-N
XLogP3.91
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-(3,5-dibromopyrazin-2-yl)-4-fluorobenzamide
CID 114074325
N-(3,5-dibromopyrazin-2-yl)-2,5-difluorobenzamide
CID 113255841
N-(3,5-dibromopyrazin-2-yl)-2,3-dihydroxybenzamide
CID 136996675
5-bromo-N-(3,5-dibromopyrazin-2-yl)-2-iodobenzamide
CID 114074313
3-bromo-N-(3,5-dibromopyrazin-2-yl)-2-fluorobenzamide
CID 114074315
N-(3,5-dibromopyrazin-2-yl)-1-benzofuran-2-carboxamide
CID 103756329
N-(3-bromo-5-chloro-2-pyridinyl)benzamide
CID 121012256
N-(3,5-dibromopyrazin-2-yl)-4,5-dimethylthiophene-2-carboxamide
CID 113255867
N-(4-amino-1,2,5-oxadiazol-3-yl)-4-chlorobenzamide
CID 4916245
2-[(4-chlorobenzoyl)amino]pyridine-3-carboxylic acid
CID 63654258
4-chloro-N-hydroxybenzamide
CID 587178
2-[(3,5-dibromopyrazin-2-yl)amino]acetic acid
CID 86654274

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3,5-dibromopyrazin-2-yl)benzamide?
The IUPAC name of 4-chloro-N-(3,5-dibromopyrazin-2-yl)benzamide (CID 113255851) is 4-chloro-N-(3,5-dibromopyrazin-2-yl)benzamide.
What is the SMILES notation for 4-chloro-N-(3,5-dibromopyrazin-2-yl)benzamide?
The canonical SMILES for 4-chloro-N-(3,5-dibromopyrazin-2-yl)benzamide is O=C(Nc1ncc(Br)nc1Br)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(3,5-dibromopyrazin-2-yl)benzamide?
The InChIKey is CMWXPROUJCPXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Br2ClN3O/c12-8-5-15-10(9(13)16-8)17-11(18)6-1-3-7(14)4-2-6/h1-5H,(H,15,17,18).
What are the key properties of 4-chloro-N-(3,5-dibromopyrazin-2-yl)benzamide?
4-chloro-N-(3,5-dibromopyrazin-2-yl)benzamide has a molecular weight of 391.45 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3,5-dibromopyrazin-2-yl)benzamide is sourced from PubChem (CID 113255851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).