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

C20H23BrN2O3 — CID 17197517

IUPAC5-bromo-N-[3-(propan-2-ylcarbamoyl)phenyl]-2-propan-2-yloxybenzamide
SMILESCC(C)NC(=O)c1cccc(NC(=O)c2cc(Br)ccc2OC(C)C)c1
InChIInChI=1S/C20H23BrN2O3/c1-12(2)22-19(24)14-6-5-7-16(10-14)23-20(25)17-11-15(21)8-9-18(17)26-13(3)4/h5-13H,1-4H3,(H,22,24)(H,23,25)
InChIKeyPIPKWQAJCUBNRZ-UHFFFAOYSA-N
MW419.32 g/mol
LogP4.63
Rot. Bonds6

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

5-bromo-N-[3-(propan-2-ylcarbamoyl)phenyl]-2-propan-2-yloxybenzamide (PubChem CID 17197517) has the molecular formula C20H23BrN2O3 and a molecular weight of 419.32 g/mol. Its IUPAC name is 5-bromo-N-[3-(propan-2-ylcarbamoyl)phenyl]-2-propan-2-yloxybenzamide.

Molecular Properties

Compound Name5-bromo-N-[3-(propan-2-ylcarbamoyl)phenyl]-2-propan-2-yloxybenzamide
PubChem CID17197517
Molecular FormulaC20H23BrN2O3
Molecular Weight419.32 g/mol
Exact Mass418.09
IUPAC Name5-bromo-N-[3-(propan-2-ylcarbamoyl)phenyl]-2-propan-2-yloxybenzamide
SMILESCC(C)NC(=O)c1cccc(NC(=O)c2cc(Br)ccc2OC(C)C)c1
InChIInChI=1S/C20H23BrN2O3/c1-12(2)22-19(24)14-6-5-7-16(10-14)23-20(25)17-11-15(21)8-9-18(17)26-13(3)4/h5-13H,1-4H3,(H,22,24)(H,23,25)
InChIKeyPIPKWQAJCUBNRZ-UHFFFAOYSA-N
XLogP4.63
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.32
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[3-[(3-methylphenyl)carbamoyl]phenyl]-2-propan-2-yloxybenzamide
CID 26164799
5-bromo-N-[3-(tert-butylcarbamoyl)phenyl]-2-propan-2-yloxybenzamide
CID 28639516
5-bromo-N-[3-(2-methoxyethylcarbamoyl)phenyl]-2-propan-2-yloxybenzamide
CID 17219067
N-[3-(propan-2-ylcarbamoyl)phenyl]-2-propan-2-yloxybenzamide
CID 17197512
5-bromo-N-(3-chlorophenyl)-2-propan-2-yloxybenzamide
CID 17051414
5-bromo-N-[3-[methyl(phenyl)carbamoyl]phenyl]-2-propan-2-yloxybenzamide
CID 17227881
5-bromo-N-[3-(morpholine-4-carbonyl)phenyl]-2-propan-2-yloxybenzamide
CID 17205565
5-bromo-N-[3-[ethyl(phenyl)carbamoyl]phenyl]-2-propan-2-yloxybenzamide
CID 17222041
5-bromo-N-[3-(butanoylamino)phenyl]-2-propan-2-yloxybenzamide
CID 17187649
4-[(5-bromo-2-propan-2-yloxybenzoyl)amino]benzoic acid
CID 54856038
5-bromo-2-propan-2-yloxy-N-[4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 43887269
5-bromo-N-[[3-(3-methoxypropylcarbamoyl)phenyl]carbamothioyl]-2-propan-2-yloxybenzamide
CID 26160840

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-(propan-2-ylcarbamoyl)phenyl]-2-propan-2-yloxybenzamide?
The IUPAC name of 5-bromo-N-[3-(propan-2-ylcarbamoyl)phenyl]-2-propan-2-yloxybenzamide (CID 17197517) is 5-bromo-N-[3-(propan-2-ylcarbamoyl)phenyl]-2-propan-2-yloxybenzamide.
What is the SMILES notation for 5-bromo-N-[3-(propan-2-ylcarbamoyl)phenyl]-2-propan-2-yloxybenzamide?
The canonical SMILES for 5-bromo-N-[3-(propan-2-ylcarbamoyl)phenyl]-2-propan-2-yloxybenzamide is CC(C)NC(=O)c1cccc(NC(=O)c2cc(Br)ccc2OC(C)C)c1.
What is the InChIKey of 5-bromo-N-[3-(propan-2-ylcarbamoyl)phenyl]-2-propan-2-yloxybenzamide?
The InChIKey is PIPKWQAJCUBNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2O3/c1-12(2)22-19(24)14-6-5-7-16(10-14)23-20(25)17-11-15(21)8-9-18(17)26-13(3)4/h5-13H,1-4H3,(H,22,24)(H,23,25).
What are the key properties of 5-bromo-N-[3-(propan-2-ylcarbamoyl)phenyl]-2-propan-2-yloxybenzamide?
5-bromo-N-[3-(propan-2-ylcarbamoyl)phenyl]-2-propan-2-yloxybenzamide has a molecular weight of 419.32 g/mol, XLogP of 4.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-(propan-2-ylcarbamoyl)phenyl]-2-propan-2-yloxybenzamide is sourced from PubChem (CID 17197517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).