5-bromo-N-[3-[methyl(phenyl)carbamoyl]phenyl]-2-propan-2-yloxybenzamide

C24H23BrN2O3 — CID 17227881

IUPAC5-bromo-N-[3-[methyl(phenyl)carbamoyl]phenyl]-2-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(Br)cc1C(=O)Nc1cccc(C(=O)N(C)c2ccccc2)c1
InChIInChI=1S/C24H23BrN2O3/c1-16(2)30-22-13-12-18(25)15-21(22)23(28)26-19-9-7-8-17(14-19)24(29)27(3)20-10-5-4-6-11-20/h4-16H,1-3H3,(H,26,28)
InChIKeyFGYIJQIIZGBPND-UHFFFAOYSA-N
MW467.36 g/mol
LogP5.77
Rot. Bonds6

About 5-bromo-N-[3-[methyl(phenyl)carbamoyl]phenyl]-2-propan-2-yloxybenzamide

5-bromo-N-[3-[methyl(phenyl)carbamoyl]phenyl]-2-propan-2-yloxybenzamide (PubChem CID 17227881) has the molecular formula C24H23BrN2O3 and a molecular weight of 467.36 g/mol. Its IUPAC name is 5-bromo-N-[3-[methyl(phenyl)carbamoyl]phenyl]-2-propan-2-yloxybenzamide.

Molecular Properties

Compound Name5-bromo-N-[3-[methyl(phenyl)carbamoyl]phenyl]-2-propan-2-yloxybenzamide
PubChem CID17227881
Molecular FormulaC24H23BrN2O3
Molecular Weight467.36 g/mol
Exact Mass466.09
IUPAC Name5-bromo-N-[3-[methyl(phenyl)carbamoyl]phenyl]-2-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(Br)cc1C(=O)Nc1cccc(C(=O)N(C)c2ccccc2)c1
InChIInChI=1S/C24H23BrN2O3/c1-16(2)30-22-13-12-18(25)15-21(22)23(28)26-19-9-7-8-17(14-19)24(29)27(3)20-10-5-4-6-11-20/h4-16H,1-3H3,(H,26,28)
InChIKeyFGYIJQIIZGBPND-UHFFFAOYSA-N
XLogP5.77
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.36
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[3-[ethyl(phenyl)carbamoyl]phenyl]-2-propan-2-yloxybenzamide
CID 17222041
5-bromo-2-(2-methoxyethoxy)-N-[3-[methyl(phenyl)carbamoyl]phenyl]benzamide
CID 17227875
5-bromo-2-butoxy-N-[3-[methyl(phenyl)carbamoyl]phenyl]benzamide
CID 17227864
5-bromo-N-[3-(propan-2-ylcarbamoyl)phenyl]-2-propan-2-yloxybenzamide
CID 17197517
5-bromo-N-[3-[(3-methylphenyl)carbamoyl]phenyl]-2-propan-2-yloxybenzamide
CID 26164799
5-bromo-N-[3-(2-methoxyethylcarbamoyl)phenyl]-2-propan-2-yloxybenzamide
CID 17219067
5-bromo-N-[3-(tert-butylcarbamoyl)phenyl]-2-propan-2-yloxybenzamide
CID 28639516
5-bromo-N-[3-[ethyl(phenyl)carbamoyl]phenyl]-2-(2-methylpropoxy)benzamide
CID 17222040
5-bromo-N-(3-chlorophenyl)-2-propan-2-yloxybenzamide
CID 17051414
4-[(5-bromo-2-propan-2-yloxybenzoyl)amino]benzoic acid
CID 54856038
5-bromo-2-ethoxy-N-[3-[ethyl(phenyl)carbamoyl]phenyl]benzamide
CID 17222029
5-bromo-N-[3-[(2-phenoxyacetyl)amino]phenyl]-2-propan-2-yloxybenzamide
CID 17231426

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-[methyl(phenyl)carbamoyl]phenyl]-2-propan-2-yloxybenzamide?
The IUPAC name of 5-bromo-N-[3-[methyl(phenyl)carbamoyl]phenyl]-2-propan-2-yloxybenzamide (CID 17227881) is 5-bromo-N-[3-[methyl(phenyl)carbamoyl]phenyl]-2-propan-2-yloxybenzamide.
What is the SMILES notation for 5-bromo-N-[3-[methyl(phenyl)carbamoyl]phenyl]-2-propan-2-yloxybenzamide?
The canonical SMILES for 5-bromo-N-[3-[methyl(phenyl)carbamoyl]phenyl]-2-propan-2-yloxybenzamide is CC(C)Oc1ccc(Br)cc1C(=O)Nc1cccc(C(=O)N(C)c2ccccc2)c1.
What is the InChIKey of 5-bromo-N-[3-[methyl(phenyl)carbamoyl]phenyl]-2-propan-2-yloxybenzamide?
The InChIKey is FGYIJQIIZGBPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23BrN2O3/c1-16(2)30-22-13-12-18(25)15-21(22)23(28)26-19-9-7-8-17(14-19)24(29)27(3)20-10-5-4-6-11-20/h4-16H,1-3H3,(H,26,28).
What are the key properties of 5-bromo-N-[3-[methyl(phenyl)carbamoyl]phenyl]-2-propan-2-yloxybenzamide?
5-bromo-N-[3-[methyl(phenyl)carbamoyl]phenyl]-2-propan-2-yloxybenzamide has a molecular weight of 467.36 g/mol, XLogP of 5.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-[methyl(phenyl)carbamoyl]phenyl]-2-propan-2-yloxybenzamide is sourced from PubChem (CID 17227881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).