N-[[5-(4-bromophenyl)-6-chloropyrazin-2-yl]carbamoyl]-2-chlorobenzamide

C18H11BrCl2N4O2 — CID 13341092

IUPACN-[[5-(4-bromophenyl)-6-chloropyrazin-2-yl]carbamoyl]-2-chlorobenzamide
SMILESO=C(NC(=O)c1ccccc1Cl)Nc1cnc(-c2ccc(Br)cc2)c(Cl)n1
InChIInChI=1S/C18H11BrCl2N4O2/c19-11-7-5-10(6-8-11)15-16(21)23-14(9-22-15)24-18(27)25-17(26)12-3-1-2-4-13(12)20/h1-9H,(H2,23,24,25,26,27)
InChIKeyOGLABTBQSITZSQ-UHFFFAOYSA-N
MW466.12 g/mol
LogP5.17
Rot. Bonds3

About N-[[5-(4-bromophenyl)-6-chloropyrazin-2-yl]carbamoyl]-2-chlorobenzamide

N-[[5-(4-bromophenyl)-6-chloropyrazin-2-yl]carbamoyl]-2-chlorobenzamide (PubChem CID 13341092) has the molecular formula C18H11BrCl2N4O2 and a molecular weight of 466.12 g/mol. Its IUPAC name is N-[[5-(4-bromophenyl)-6-chloropyrazin-2-yl]carbamoyl]-2-chlorobenzamide.

Molecular Properties

Compound NameN-[[5-(4-bromophenyl)-6-chloropyrazin-2-yl]carbamoyl]-2-chlorobenzamide
PubChem CID13341092
Molecular FormulaC18H11BrCl2N4O2
Molecular Weight466.12 g/mol
Exact Mass463.94
IUPAC NameN-[[5-(4-bromophenyl)-6-chloropyrazin-2-yl]carbamoyl]-2-chlorobenzamide
SMILESO=C(NC(=O)c1ccccc1Cl)Nc1cnc(-c2ccc(Br)cc2)c(Cl)n1
InChIInChI=1S/C18H11BrCl2N4O2/c19-11-7-5-10(6-8-11)15-16(21)23-14(9-22-15)24-18(27)25-17(26)12-3-1-2-4-13(12)20/h1-9H,(H2,23,24,25,26,27)
InChIKeyOGLABTBQSITZSQ-UHFFFAOYSA-N
XLogP5.17
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.12
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[[5-(4-ethylphenyl)-6-methylpyrazin-2-yl]carbamoyl]benzamide
CID 13341085
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-chloro-N-[[6-methyl-5-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]carbamoyl]benzamide
CID 13341094
N-[(5-benzyl-6-chloropyrazin-2-yl)carbamoyl]-2-methylbenzamide
CID 20567062
N-(5-bromo-2-pyridinyl)-2-[(2-chlorobenzoyl)amino]benzamide
CID 1268365
2-chloro-N-[[6-methyl-5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]carbamoyl]benzamide
CID 54087220
2-bromo-N-[[5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]carbamoyl]benzamide
CID 20567036
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-chloro-N-[[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]-3-methylphenyl]carbamoyl]benzamide
CID 19072978
2-chloro-N-[[3-chloro-4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]carbamoyl]benzamide
CID 70629375

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-bromophenyl)-6-chloropyrazin-2-yl]carbamoyl]-2-chlorobenzamide?
The IUPAC name of N-[[5-(4-bromophenyl)-6-chloropyrazin-2-yl]carbamoyl]-2-chlorobenzamide (CID 13341092) is N-[[5-(4-bromophenyl)-6-chloropyrazin-2-yl]carbamoyl]-2-chlorobenzamide.
What is the SMILES notation for N-[[5-(4-bromophenyl)-6-chloropyrazin-2-yl]carbamoyl]-2-chlorobenzamide?
The canonical SMILES for N-[[5-(4-bromophenyl)-6-chloropyrazin-2-yl]carbamoyl]-2-chlorobenzamide is O=C(NC(=O)c1ccccc1Cl)Nc1cnc(-c2ccc(Br)cc2)c(Cl)n1.
What is the InChIKey of N-[[5-(4-bromophenyl)-6-chloropyrazin-2-yl]carbamoyl]-2-chlorobenzamide?
The InChIKey is OGLABTBQSITZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11BrCl2N4O2/c19-11-7-5-10(6-8-11)15-16(21)23-14(9-22-15)24-18(27)25-17(26)12-3-1-2-4-13(12)20/h1-9H,(H2,23,24,25,26,27).
What are the key properties of N-[[5-(4-bromophenyl)-6-chloropyrazin-2-yl]carbamoyl]-2-chlorobenzamide?
N-[[5-(4-bromophenyl)-6-chloropyrazin-2-yl]carbamoyl]-2-chlorobenzamide has a molecular weight of 466.12 g/mol, XLogP of 5.17, 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-chloropyrazin-2-yl]carbamoyl]-2-chlorobenzamide is sourced from PubChem (CID 13341092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).