N-(2-bromo-4-methylphenyl)-4-[(4-bromopyrazol-1-yl)methyl]benzamide

C18H15Br2N3O — CID 1014637

IUPACN-(2-bromo-4-methylphenyl)-4-[(4-bromopyrazol-1-yl)methyl]benzamide
SMILESCc1ccc(NC(=O)c2ccc(Cn3cc(Br)cn3)cc2)c(Br)c1
InChIInChI=1S/C18H15Br2N3O/c1-12-2-7-17(16(20)8-12)22-18(24)14-5-3-13(4-6-14)10-23-11-15(19)9-21-23/h2-9,11H,10H2,1H3,(H,22,24)
InChIKeyNZPLKPACTANLJW-UHFFFAOYSA-N
MW449.15 g/mol
LogP5.02
Rot. Bonds4

About N-(2-bromo-4-methylphenyl)-4-[(4-bromopyrazol-1-yl)methyl]benzamide

N-(2-bromo-4-methylphenyl)-4-[(4-bromopyrazol-1-yl)methyl]benzamide (PubChem CID 1014637) has the molecular formula C18H15Br2N3O and a molecular weight of 449.15 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-4-[(4-bromopyrazol-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-4-[(4-bromopyrazol-1-yl)methyl]benzamide
PubChem CID1014637
Molecular FormulaC18H15Br2N3O
Molecular Weight449.15 g/mol
Exact Mass446.96
IUPAC NameN-(2-bromo-4-methylphenyl)-4-[(4-bromopyrazol-1-yl)methyl]benzamide
SMILESCc1ccc(NC(=O)c2ccc(Cn3cc(Br)cn3)cc2)c(Br)c1
InChIInChI=1S/C18H15Br2N3O/c1-12-2-7-17(16(20)8-12)22-18(24)14-5-3-13(4-6-14)10-23-11-15(19)9-21-23/h2-9,11H,10H2,1H3,(H,22,24)
InChIKeyNZPLKPACTANLJW-UHFFFAOYSA-N
XLogP5.02
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.15
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-bromopyrazol-1-yl)methyl]-N-(4-chloro-2-fluorophenyl)benzamide
CID 35323397
N-(2-bromo-4-methylphenyl)-4-(hydroxymethyl)benzamide
CID 2089579
N-(2-bromo-4-methylphenyl)-4-ethylbenzamide
CID 2547142
4-[(4-bromopyrazol-1-yl)methyl]-N-(2-methylpropyl)benzamide
CID 35529421
4-[(4-bromopyrazol-1-yl)methyl]-N-(1,2-oxazol-3-yl)benzamide
CID 35323499
N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-2,4-dimethylbenzamide
CID 19404033
N-(2,4-dibromophenyl)-4-methylbenzamide
CID 2707201
N-(2-hydroxy-4-methylphenyl)-4-(pyrazol-1-ylmethyl)benzamide
CID 18138231
N-(2-bromo-4-methylphenyl)pyrimidine-5-carboxamide
CID 110862940
4-[(4-bromopyrazol-1-yl)methyl]-N-(cyclobutylmethyl)benzamide
CID 95756450
methyl 4-[[4-[(4-bromopyrazol-1-yl)methyl]benzoyl]carbamothioylamino]benzoate
CID 5016743
N-(2-bromo-4-methylphenyl)-6-fluoropyridine-3-carboxamide
CID 63973713

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-4-[(4-bromopyrazol-1-yl)methyl]benzamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-4-[(4-bromopyrazol-1-yl)methyl]benzamide (CID 1014637) is N-(2-bromo-4-methylphenyl)-4-[(4-bromopyrazol-1-yl)methyl]benzamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-4-[(4-bromopyrazol-1-yl)methyl]benzamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-4-[(4-bromopyrazol-1-yl)methyl]benzamide is Cc1ccc(NC(=O)c2ccc(Cn3cc(Br)cn3)cc2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-4-[(4-bromopyrazol-1-yl)methyl]benzamide?
The InChIKey is NZPLKPACTANLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Br2N3O/c1-12-2-7-17(16(20)8-12)22-18(24)14-5-3-13(4-6-14)10-23-11-15(19)9-21-23/h2-9,11H,10H2,1H3,(H,22,24).
What are the key properties of N-(2-bromo-4-methylphenyl)-4-[(4-bromopyrazol-1-yl)methyl]benzamide?
N-(2-bromo-4-methylphenyl)-4-[(4-bromopyrazol-1-yl)methyl]benzamide has a molecular weight of 449.15 g/mol, XLogP of 5.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-4-[(4-bromopyrazol-1-yl)methyl]benzamide is sourced from PubChem (CID 1014637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).