4-bromo-3-chloro-N-(2-methylpyrazol-3-yl)benzamide

C11H9BrClN3O — CID 81005079

IUPAC4-bromo-3-chloro-N-(2-methylpyrazol-3-yl)benzamide
SMILESCn1nccc1NC(=O)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C11H9BrClN3O/c1-16-10(4-5-14-16)15-11(17)7-2-3-8(12)9(13)6-7/h2-6H,1H3,(H,15,17)
InChIKeyLCDJNODNJLBEPO-UHFFFAOYSA-N
MW314.57 g/mol
LogP3.09
Rot. Bonds2

About 4-bromo-3-chloro-N-(2-methylpyrazol-3-yl)benzamide

4-bromo-3-chloro-N-(2-methylpyrazol-3-yl)benzamide (PubChem CID 81005079) has the molecular formula C11H9BrClN3O and a molecular weight of 314.57 g/mol. Its IUPAC name is 4-bromo-3-chloro-N-(2-methylpyrazol-3-yl)benzamide.

Molecular Properties

Compound Name4-bromo-3-chloro-N-(2-methylpyrazol-3-yl)benzamide
PubChem CID81005079
Molecular FormulaC11H9BrClN3O
Molecular Weight314.57 g/mol
Exact Mass312.96
IUPAC Name4-bromo-3-chloro-N-(2-methylpyrazol-3-yl)benzamide
SMILESCn1nccc1NC(=O)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C11H9BrClN3O/c1-16-10(4-5-14-16)15-11(17)7-2-3-8(12)9(13)6-7/h2-6H,1H3,(H,15,17)
InChIKeyLCDJNODNJLBEPO-UHFFFAOYSA-N
XLogP3.09
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.57
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-3-methyl-N-(2-methylpyrazol-3-yl)benzamide
CID 103956818
N-(2-methylpyrazol-3-yl)pyridine-4-carboxamide
CID 110471287
5-chloro-6-(ethylamino)-N-(2-methylpyrazol-3-yl)pyridine-3-carboxamide
CID 62176197
3-fluoro-N-(2-methylpyrazol-3-yl)benzamide
CID 110472464
4-hydrazinyl-3-methyl-N-(2-methylpyrazol-3-yl)benzamide
CID 63211576
4-bromo-3-chloro-N-(1-methyl-6-oxo-3-pyridinyl)benzamide
CID 80973979
4-(dimethylamino)-N-(2-methylpyrazol-3-yl)benzamide
CID 110473266
4-chloro-N-(2-methylpyrazol-3-yl)pyridine-3-carboxamide
CID 81226455
N-(2-methylpyrazol-3-yl)-1H-indazole-6-carboxamide
CID 62905623
4-bromo-3-chloro-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 80961600
4-bromo-3-chloro-N-(3,5-dichloro-6-methyl-2-pyridinyl)benzamide
CID 81307974
3-methyl-N-(2-methylpyrazol-3-yl)-4-(propylamino)benzamide
CID 63214108

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-chloro-N-(2-methylpyrazol-3-yl)benzamide?
The IUPAC name of 4-bromo-3-chloro-N-(2-methylpyrazol-3-yl)benzamide (CID 81005079) is 4-bromo-3-chloro-N-(2-methylpyrazol-3-yl)benzamide.
What is the SMILES notation for 4-bromo-3-chloro-N-(2-methylpyrazol-3-yl)benzamide?
The canonical SMILES for 4-bromo-3-chloro-N-(2-methylpyrazol-3-yl)benzamide is Cn1nccc1NC(=O)c1ccc(Br)c(Cl)c1.
What is the InChIKey of 4-bromo-3-chloro-N-(2-methylpyrazol-3-yl)benzamide?
The InChIKey is LCDJNODNJLBEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrClN3O/c1-16-10(4-5-14-16)15-11(17)7-2-3-8(12)9(13)6-7/h2-6H,1H3,(H,15,17).
What are the key properties of 4-bromo-3-chloro-N-(2-methylpyrazol-3-yl)benzamide?
4-bromo-3-chloro-N-(2-methylpyrazol-3-yl)benzamide has a molecular weight of 314.57 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-chloro-N-(2-methylpyrazol-3-yl)benzamide is sourced from PubChem (CID 81005079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).