5-bromo-2-chloro-N-[2-(1,2,4-triazol-1-yl)phenyl]benzamide

C15H10BrClN4O — CID 55573291

IUPAC5-bromo-2-chloro-N-[2-(1,2,4-triazol-1-yl)phenyl]benzamide
SMILESO=C(Nc1ccccc1-n1cncn1)c1cc(Br)ccc1Cl
InChIInChI=1S/C15H10BrClN4O/c16-10-5-6-12(17)11(7-10)15(22)20-13-3-1-2-4-14(13)21-9-18-8-19-21/h1-9H,(H,20,22)
InChIKeyVDTVATIMOHVZPB-UHFFFAOYSA-N
MW377.63 g/mol
LogP3.94
Rot. Bonds3

About 5-bromo-2-chloro-N-[2-(1,2,4-triazol-1-yl)phenyl]benzamide

5-bromo-2-chloro-N-[2-(1,2,4-triazol-1-yl)phenyl]benzamide (PubChem CID 55573291) has the molecular formula C15H10BrClN4O and a molecular weight of 377.63 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-[2-(1,2,4-triazol-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-[2-(1,2,4-triazol-1-yl)phenyl]benzamide
PubChem CID55573291
Molecular FormulaC15H10BrClN4O
Molecular Weight377.63 g/mol
Exact Mass375.97
IUPAC Name5-bromo-2-chloro-N-[2-(1,2,4-triazol-1-yl)phenyl]benzamide
SMILESO=C(Nc1ccccc1-n1cncn1)c1cc(Br)ccc1Cl
InChIInChI=1S/C15H10BrClN4O/c16-10-5-6-12(17)11(7-10)15(22)20-13-3-1-2-4-14(13)21-9-18-8-19-21/h1-9H,(H,20,22)
InChIKeyVDTVATIMOHVZPB-UHFFFAOYSA-N
XLogP3.94
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.63
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dichloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]benzamide
CID 31527228
4-bromo-1-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]pyrrole-2-carboxamide
CID 60956274
5-bromo-2-chloro-N-(2-pyrazol-1-yl-3-pyridinyl)benzamide
CID 30887095
N-[2-(4-acetylpiperazin-1-yl)phenyl]-5-bromo-2-chlorobenzamide
CID 1259192
N-[5-bromo-2-(1,2,4-triazol-1-yl)phenyl]-5-chloropyrimidine-4-carboxamide
CID 167776851
2-bromo-5-pyrrolidin-1-ylsulfonyl-N-[2-(1,2,4-triazol-1-yl)phenyl]benzamide
CID 55573617
2-chloro-5-[(4-methoxyphenyl)-methylsulfamoyl]-N-[2-(1,2,4-triazol-1-yl)phenyl]benzamide
CID 55581937
2-chloro-N-[2-(1,2,4-triazol-1-yl)phenyl]acetamide
CID 43699115
2-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]quinoline-4-carboxamide
CID 134004270
5-hydroxy-N-[2-(1,2,4-triazol-1-yl)phenyl]pyridine-3-carboxamide
CID 63859919
5-bromo-N-(2-carbamothioylphenyl)-2-chlorobenzamide
CID 43378988
5-fluoro-2-methoxy-N-[2-(1,2,4-triazol-1-yl)phenyl]benzamide
CID 134004356

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-[2-(1,2,4-triazol-1-yl)phenyl]benzamide?
The IUPAC name of 5-bromo-2-chloro-N-[2-(1,2,4-triazol-1-yl)phenyl]benzamide (CID 55573291) is 5-bromo-2-chloro-N-[2-(1,2,4-triazol-1-yl)phenyl]benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-[2-(1,2,4-triazol-1-yl)phenyl]benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-[2-(1,2,4-triazol-1-yl)phenyl]benzamide is O=C(Nc1ccccc1-n1cncn1)c1cc(Br)ccc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-[2-(1,2,4-triazol-1-yl)phenyl]benzamide?
The InChIKey is VDTVATIMOHVZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClN4O/c16-10-5-6-12(17)11(7-10)15(22)20-13-3-1-2-4-14(13)21-9-18-8-19-21/h1-9H,(H,20,22).
What are the key properties of 5-bromo-2-chloro-N-[2-(1,2,4-triazol-1-yl)phenyl]benzamide?
5-bromo-2-chloro-N-[2-(1,2,4-triazol-1-yl)phenyl]benzamide has a molecular weight of 377.63 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-[2-(1,2,4-triazol-1-yl)phenyl]benzamide is sourced from PubChem (CID 55573291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).