4-bromo-2-chloro-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide

C14H9BrClN5O — CID 47057842

IUPAC4-bromo-2-chloro-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide
SMILESO=C(Nc1n[nH]c(-c2ccccn2)n1)c1ccc(Br)cc1Cl
InChIInChI=1S/C14H9BrClN5O/c15-8-4-5-9(10(16)7-8)13(22)19-14-18-12(20-21-14)11-3-1-2-6-17-11/h1-7H,(H2,18,19,20,21,22)
InChIKeySLGUFVJHXQUHEA-UHFFFAOYSA-N
MW378.62 g/mol
LogP3.53
Rot. Bonds3

About 4-bromo-2-chloro-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide

4-bromo-2-chloro-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide (PubChem CID 47057842) has the molecular formula C14H9BrClN5O and a molecular weight of 378.62 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide.

Molecular Properties

Compound Name4-bromo-2-chloro-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide
PubChem CID47057842
Molecular FormulaC14H9BrClN5O
Molecular Weight378.62 g/mol
Exact Mass376.97
IUPAC Name4-bromo-2-chloro-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide
SMILESO=C(Nc1n[nH]c(-c2ccccn2)n1)c1ccc(Br)cc1Cl
InChIInChI=1S/C14H9BrClN5O/c15-8-4-5-9(10(16)7-8)13(22)19-14-18-12(20-21-14)11-3-1-2-6-17-11/h1-7H,(H2,18,19,20,21,22)
InChIKeySLGUFVJHXQUHEA-UHFFFAOYSA-N
XLogP3.53
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.62
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-3-carboxamide
CID 86992070
4-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide
CID 86992065
3-bromo-5-methoxy-4-propoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide
CID 55729923
2-[(2-chlorophenyl)methoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide
CID 47057837
4-morpholin-4-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-2-carboxamide
CID 167849051
N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 51096870
N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopentanecarboxamide
CID 51081301
3-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-4H-1,4-benzoxazine-8-carboxamide
CID 71878985
5-bromo-2-chloro-N-pyridin-2-ylbenzamide
CID 774435
2-phenylsulfanyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide
CID 87018830
4-bromo-N-(5-bromo-2-pyridinyl)-2-chlorobenzamide
CID 61060806
3-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzo[g][1]benzofuran-2-carboxamide
CID 154858086

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide?
The IUPAC name of 4-bromo-2-chloro-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide (CID 47057842) is 4-bromo-2-chloro-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide.
What is the SMILES notation for 4-bromo-2-chloro-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide?
The canonical SMILES for 4-bromo-2-chloro-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide is O=C(Nc1n[nH]c(-c2ccccn2)n1)c1ccc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2-chloro-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide?
The InChIKey is SLGUFVJHXQUHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClN5O/c15-8-4-5-9(10(16)7-8)13(22)19-14-18-12(20-21-14)11-3-1-2-6-17-11/h1-7H,(H2,18,19,20,21,22).
What are the key properties of 4-bromo-2-chloro-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide?
4-bromo-2-chloro-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide has a molecular weight of 378.62 g/mol, XLogP of 3.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide is sourced from PubChem (CID 47057842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).