2-bromo-4-chloro-N-(1H-pyrazol-4-ylmethyl)benzamide

C11H9BrClN3O — CID 113257865

IUPAC2-bromo-4-chloro-N-(1H-pyrazol-4-ylmethyl)benzamide
SMILESO=C(NCc1cn[nH]c1)c1ccc(Cl)cc1Br
InChIInChI=1S/C11H9BrClN3O/c12-10-3-8(13)1-2-9(10)11(17)14-4-7-5-15-16-6-7/h1-3,5-6H,4H2,(H,14,17)(H,15,16)
InChIKeyCVPLOPKLMIHKIZ-UHFFFAOYSA-N
MW314.57 g/mol
LogP2.76
Rot. Bonds3

About 2-bromo-4-chloro-N-(1H-pyrazol-4-ylmethyl)benzamide

2-bromo-4-chloro-N-(1H-pyrazol-4-ylmethyl)benzamide (PubChem CID 113257865) has the molecular formula C11H9BrClN3O and a molecular weight of 314.57 g/mol. Its IUPAC name is 2-bromo-4-chloro-N-(1H-pyrazol-4-ylmethyl)benzamide.

Molecular Properties

Compound Name2-bromo-4-chloro-N-(1H-pyrazol-4-ylmethyl)benzamide
PubChem CID113257865
Molecular FormulaC11H9BrClN3O
Molecular Weight314.57 g/mol
Exact Mass312.96
IUPAC Name2-bromo-4-chloro-N-(1H-pyrazol-4-ylmethyl)benzamide
SMILESO=C(NCc1cn[nH]c1)c1ccc(Cl)cc1Br
InChIInChI=1S/C11H9BrClN3O/c12-10-3-8(13)1-2-9(10)11(17)14-4-7-5-15-16-6-7/h1-3,5-6H,4H2,(H,14,17)(H,15,16)
InChIKeyCVPLOPKLMIHKIZ-UHFFFAOYSA-N
XLogP2.76
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.57
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-N-(1H-pyrazol-4-ylmethyl)acetamide
CID 60736185
2-fluoro-5-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 62511186
2-bromo-4-chloro-N-[(3-hydroxyphenyl)methyl]benzamide
CID 103765522
4-fluoro-2-hydroxy-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 103829705
3-chloro-2-fluoro-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 81047299
2-amino-5-fluoro-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 54904588
2-amino-5-bromo-N-(1H-pyrazol-4-ylmethyl)pyridine-3-carboxamide
CID 55042012
2-bromo-4-chloro-N-[(2-hydroxyphenyl)methyl]benzamide
CID 113257915
N-[(3-amino-4-methoxyphenyl)methyl]-2-bromo-4-chlorobenzamide
CID 107986307
2-fluoro-5-nitro-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 61053649
2-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 60736201
3-bromo-4-methoxy-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 60735936

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-N-(1H-pyrazol-4-ylmethyl)benzamide?
The IUPAC name of 2-bromo-4-chloro-N-(1H-pyrazol-4-ylmethyl)benzamide (CID 113257865) is 2-bromo-4-chloro-N-(1H-pyrazol-4-ylmethyl)benzamide.
What is the SMILES notation for 2-bromo-4-chloro-N-(1H-pyrazol-4-ylmethyl)benzamide?
The canonical SMILES for 2-bromo-4-chloro-N-(1H-pyrazol-4-ylmethyl)benzamide is O=C(NCc1cn[nH]c1)c1ccc(Cl)cc1Br.
What is the InChIKey of 2-bromo-4-chloro-N-(1H-pyrazol-4-ylmethyl)benzamide?
The InChIKey is CVPLOPKLMIHKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrClN3O/c12-10-3-8(13)1-2-9(10)11(17)14-4-7-5-15-16-6-7/h1-3,5-6H,4H2,(H,14,17)(H,15,16).
What are the key properties of 2-bromo-4-chloro-N-(1H-pyrazol-4-ylmethyl)benzamide?
2-bromo-4-chloro-N-(1H-pyrazol-4-ylmethyl)benzamide has a molecular weight of 314.57 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-chloro-N-(1H-pyrazol-4-ylmethyl)benzamide is sourced from PubChem (CID 113257865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).