N-(5-bromo-2-methylphenyl)benzamide;N-(2-methyl-5-pyrrol-1-ylphenyl)benzamide

C32H28BrN3O2 — CID 158601564

IUPACN-(5-bromo-2-methylphenyl)benzamide;N-(2-methyl-5-pyrrol-1-ylphenyl)benzamide
SMILESCc1ccc(-n2cccc2)cc1NC(=O)c1ccccc1.Cc1ccc(Br)cc1NC(=O)c1ccccc1
InChIInChI=1S/C18H16N2O.C14H12BrNO/c1-14-9-10-16(20-11-5-6-12-20)13-17(14)19-18(21)15-7-3-2-4-8-15;1-10-7-8-12(15)9-13(10)16-14(17)11-5-3-2-4-6-11/h2-13H,1H3,(H,19,21);2-9H,1H3,(H,16,17)
InChIKeyHVRUPQPIRDHOEX-UHFFFAOYSA-N
MW566.50 g/mol
LogP8.05
Rot. Bonds5

About N-(5-bromo-2-methylphenyl)benzamide;N-(2-methyl-5-pyrrol-1-ylphenyl)benzamide

N-(5-bromo-2-methylphenyl)benzamide;N-(2-methyl-5-pyrrol-1-ylphenyl)benzamide (PubChem CID 158601564) has the molecular formula C32H28BrN3O2 and a molecular weight of 566.50 g/mol. Its IUPAC name is N-(5-bromo-2-methylphenyl)benzamide;N-(2-methyl-5-pyrrol-1-ylphenyl)benzamide.

Molecular Properties

Compound NameN-(5-bromo-2-methylphenyl)benzamide;N-(2-methyl-5-pyrrol-1-ylphenyl)benzamide
PubChem CID158601564
Molecular FormulaC32H28BrN3O2
Molecular Weight566.50 g/mol
Exact Mass565.14
IUPAC NameN-(5-bromo-2-methylphenyl)benzamide;N-(2-methyl-5-pyrrol-1-ylphenyl)benzamide
SMILESCc1ccc(-n2cccc2)cc1NC(=O)c1ccccc1.Cc1ccc(Br)cc1NC(=O)c1ccccc1
InChIInChI=1S/C18H16N2O.C14H12BrNO/c1-14-9-10-16(20-11-5-6-12-20)13-17(14)19-18(21)15-7-3-2-4-8-15;1-10-7-8-12(15)9-13(10)16-14(17)11-5-3-2-4-6-11/h2-13H,1H3,(H,19,21);2-9H,1H3,(H,16,17)
InChIKeyHVRUPQPIRDHOEX-UHFFFAOYSA-N
XLogP8.05
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.50
LogP ≤ 58.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-bromo-2-methylphenyl)-4-methylbenzamide
CID 43806352
N-(5-bromo-2-methylphenyl)-3-iodobenzamide
CID 43806317
N-[5-bromo-2-(methylamino)phenyl]benzamide
CID 175288167
N-[2-methyl-5-(tetrazol-1-yl)phenyl]benzamide
CID 60789520
N-[2-methyl-5-(propanoylamino)phenyl]-4-pyrrol-1-ylbenzamide
CID 46478145
5-bromo-N-(5-bromo-2-methylphenyl)thiophene-3-carboxamide
CID 43806118
N-(5-bromo-2-methylphenyl)-3-hydroxy-4-methylbenzamide
CID 43806148
3-benzamido-N-[(4-bromophenyl)methyl]-N,4-dimethylbenzamide
CID 55630306
2-amino-N-(5-bromo-2-methylphenyl)benzamide
CID 43805810
N-(5-bromo-2-methylphenyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 43806257
N-(5-bromo-2-methylphenyl)-2,6-dihydroxybenzamide
CID 107688790
3-benzamido-N,4-dimethylbenzamide
CID 17226324

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methylphenyl)benzamide;N-(2-methyl-5-pyrrol-1-ylphenyl)benzamide?
The IUPAC name of N-(5-bromo-2-methylphenyl)benzamide;N-(2-methyl-5-pyrrol-1-ylphenyl)benzamide (CID 158601564) is N-(5-bromo-2-methylphenyl)benzamide;N-(2-methyl-5-pyrrol-1-ylphenyl)benzamide.
What is the SMILES notation for N-(5-bromo-2-methylphenyl)benzamide;N-(2-methyl-5-pyrrol-1-ylphenyl)benzamide?
The canonical SMILES for N-(5-bromo-2-methylphenyl)benzamide;N-(2-methyl-5-pyrrol-1-ylphenyl)benzamide is Cc1ccc(-n2cccc2)cc1NC(=O)c1ccccc1.Cc1ccc(Br)cc1NC(=O)c1ccccc1.
What is the InChIKey of N-(5-bromo-2-methylphenyl)benzamide;N-(2-methyl-5-pyrrol-1-ylphenyl)benzamide?
The InChIKey is HVRUPQPIRDHOEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O.C14H12BrNO/c1-14-9-10-16(20-11-5-6-12-20)13-17(14)19-18(21)15-7-3-2-4-8-15;1-10-7-8-12(15)9-13(10)16-14(17)11-5-3-2-4-6-11/h2-13H,1H3,(H,19,21);2-9H,1H3,(H,16,17).
What are the key properties of N-(5-bromo-2-methylphenyl)benzamide;N-(2-methyl-5-pyrrol-1-ylphenyl)benzamide?
N-(5-bromo-2-methylphenyl)benzamide;N-(2-methyl-5-pyrrol-1-ylphenyl)benzamide has a molecular weight of 566.50 g/mol, XLogP of 8.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-methylphenyl)benzamide;N-(2-methyl-5-pyrrol-1-ylphenyl)benzamide is sourced from PubChem (CID 158601564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).