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

C20H23BrN2O3 — CID 17187649

IUPAC5-bromo-N-[3-(butanoylamino)phenyl]-2-propan-2-yloxybenzamide
SMILESCCCC(=O)Nc1cccc(NC(=O)c2cc(Br)ccc2OC(C)C)c1
InChIInChI=1S/C20H23BrN2O3/c1-4-6-19(24)22-15-7-5-8-16(12-15)23-20(25)17-11-14(21)9-10-18(17)26-13(2)3/h5,7-13H,4,6H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyHULHOEWFSRDMDQ-UHFFFAOYSA-N
MW419.32 g/mol
LogP5.23
Rot. Bonds7

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

5-bromo-N-[3-(butanoylamino)phenyl]-2-propan-2-yloxybenzamide (PubChem CID 17187649) has the molecular formula C20H23BrN2O3 and a molecular weight of 419.32 g/mol. Its IUPAC name is 5-bromo-N-[3-(butanoylamino)phenyl]-2-propan-2-yloxybenzamide.

Molecular Properties

Compound Name5-bromo-N-[3-(butanoylamino)phenyl]-2-propan-2-yloxybenzamide
PubChem CID17187649
Molecular FormulaC20H23BrN2O3
Molecular Weight419.32 g/mol
Exact Mass418.09
IUPAC Name5-bromo-N-[3-(butanoylamino)phenyl]-2-propan-2-yloxybenzamide
SMILESCCCC(=O)Nc1cccc(NC(=O)c2cc(Br)ccc2OC(C)C)c1
InChIInChI=1S/C20H23BrN2O3/c1-4-6-19(24)22-15-7-5-8-16(12-15)23-20(25)17-11-14(21)9-10-18(17)26-13(2)3/h5,7-13H,4,6H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyHULHOEWFSRDMDQ-UHFFFAOYSA-N
XLogP5.23
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.32
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[3-[(2-phenoxyacetyl)amino]phenyl]-2-propan-2-yloxybenzamide
CID 17231426
5-bromo-N-(3-chlorophenyl)-2-propan-2-yloxybenzamide
CID 17051414
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-propan-2-yloxybenzamide
CID 17222041
N-(3-acetamidophenyl)-5-bromo-2-butoxybenzamide
CID 17189847
N-[3-(butanoylamino)phenyl]-2-(2-methylpropoxy)benzamide
CID 17187605
[4-bromo-2-[(3-bromophenyl)carbamoyl]phenyl] hypobromite
CID 67302853
4-[(5-bromo-2-propan-2-yloxybenzoyl)amino]benzoic acid
CID 54856038
5-bromo-2-(3-methylbutoxy)-N-(3-propan-2-yloxyphenyl)benzamide
CID 17154784

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-(butanoylamino)phenyl]-2-propan-2-yloxybenzamide?
The IUPAC name of 5-bromo-N-[3-(butanoylamino)phenyl]-2-propan-2-yloxybenzamide (CID 17187649) is 5-bromo-N-[3-(butanoylamino)phenyl]-2-propan-2-yloxybenzamide.
What is the SMILES notation for 5-bromo-N-[3-(butanoylamino)phenyl]-2-propan-2-yloxybenzamide?
The canonical SMILES for 5-bromo-N-[3-(butanoylamino)phenyl]-2-propan-2-yloxybenzamide is CCCC(=O)Nc1cccc(NC(=O)c2cc(Br)ccc2OC(C)C)c1.
What is the InChIKey of 5-bromo-N-[3-(butanoylamino)phenyl]-2-propan-2-yloxybenzamide?
The InChIKey is HULHOEWFSRDMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2O3/c1-4-6-19(24)22-15-7-5-8-16(12-15)23-20(25)17-11-14(21)9-10-18(17)26-13(2)3/h5,7-13H,4,6H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of 5-bromo-N-[3-(butanoylamino)phenyl]-2-propan-2-yloxybenzamide?
5-bromo-N-[3-(butanoylamino)phenyl]-2-propan-2-yloxybenzamide has a molecular weight of 419.32 g/mol, XLogP of 5.23, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-(butanoylamino)phenyl]-2-propan-2-yloxybenzamide is sourced from PubChem (CID 17187649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).