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

C20H23BrN2O4 — CID 17219067

IUPAC5-bromo-N-[3-(2-methoxyethylcarbamoyl)phenyl]-2-propan-2-yloxybenzamide
SMILESCOCCNC(=O)c1cccc(NC(=O)c2cc(Br)ccc2OC(C)C)c1
InChIInChI=1S/C20H23BrN2O4/c1-13(2)27-18-8-7-15(21)12-17(18)20(25)23-16-6-4-5-14(11-16)19(24)22-9-10-26-3/h4-8,11-13H,9-10H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyDUOJCWVRCHUGCW-UHFFFAOYSA-N
MW435.32 g/mol
LogP3.86
Rot. Bonds8

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

5-bromo-N-[3-(2-methoxyethylcarbamoyl)phenyl]-2-propan-2-yloxybenzamide (PubChem CID 17219067) has the molecular formula C20H23BrN2O4 and a molecular weight of 435.32 g/mol. Its IUPAC name is 5-bromo-N-[3-(2-methoxyethylcarbamoyl)phenyl]-2-propan-2-yloxybenzamide.

Molecular Properties

Compound Name5-bromo-N-[3-(2-methoxyethylcarbamoyl)phenyl]-2-propan-2-yloxybenzamide
PubChem CID17219067
Molecular FormulaC20H23BrN2O4
Molecular Weight435.32 g/mol
Exact Mass434.08
IUPAC Name5-bromo-N-[3-(2-methoxyethylcarbamoyl)phenyl]-2-propan-2-yloxybenzamide
SMILESCOCCNC(=O)c1cccc(NC(=O)c2cc(Br)ccc2OC(C)C)c1
InChIInChI=1S/C20H23BrN2O4/c1-13(2)27-18-8-7-15(21)12-17(18)20(25)23-16-6-4-5-14(11-16)19(24)22-9-10-26-3/h4-8,11-13H,9-10H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyDUOJCWVRCHUGCW-UHFFFAOYSA-N
XLogP3.86
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.32
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-[[3-(3-methoxypropylcarbamoyl)phenyl]carbamothioyl]-2-propan-2-yloxybenzamide
CID 26160840
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-(3-methoxypropylcarbamoyl)phenyl]-2-(3-methylbutoxy)benzamide
CID 26160308
5-bromo-N-[3-(tert-butylcarbamoyl)phenyl]-2-propan-2-yloxybenzamide
CID 28639516
5-bromo-N-[[3-(2-methoxyethylcarbamoyl)phenyl]carbamothioyl]-2-(3-methylbutoxy)benzamide
CID 17219325
5-bromo-N-[3-[methyl(phenyl)carbamoyl]phenyl]-2-propan-2-yloxybenzamide
CID 17227881
5-bromo-N-[3-[ethyl(phenyl)carbamoyl]phenyl]-2-propan-2-yloxybenzamide
CID 17222041
5-bromo-N-(3-chlorophenyl)-2-propan-2-yloxybenzamide
CID 17051414
3-bromo-4-methoxy-N-[3-(2-methoxyethylcarbamoyl)phenyl]benzamide
CID 17218947
5-bromo-N-[3-(butanoylamino)phenyl]-2-propan-2-yloxybenzamide
CID 17187649
5-bromo-N-[3-(morpholine-4-carbonyl)phenyl]-2-propan-2-yloxybenzamide
CID 17205565

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-(2-methoxyethylcarbamoyl)phenyl]-2-propan-2-yloxybenzamide?
The IUPAC name of 5-bromo-N-[3-(2-methoxyethylcarbamoyl)phenyl]-2-propan-2-yloxybenzamide (CID 17219067) is 5-bromo-N-[3-(2-methoxyethylcarbamoyl)phenyl]-2-propan-2-yloxybenzamide.
What is the SMILES notation for 5-bromo-N-[3-(2-methoxyethylcarbamoyl)phenyl]-2-propan-2-yloxybenzamide?
The canonical SMILES for 5-bromo-N-[3-(2-methoxyethylcarbamoyl)phenyl]-2-propan-2-yloxybenzamide is COCCNC(=O)c1cccc(NC(=O)c2cc(Br)ccc2OC(C)C)c1.
What is the InChIKey of 5-bromo-N-[3-(2-methoxyethylcarbamoyl)phenyl]-2-propan-2-yloxybenzamide?
The InChIKey is DUOJCWVRCHUGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2O4/c1-13(2)27-18-8-7-15(21)12-17(18)20(25)23-16-6-4-5-14(11-16)19(24)22-9-10-26-3/h4-8,11-13H,9-10H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of 5-bromo-N-[3-(2-methoxyethylcarbamoyl)phenyl]-2-propan-2-yloxybenzamide?
5-bromo-N-[3-(2-methoxyethylcarbamoyl)phenyl]-2-propan-2-yloxybenzamide has a molecular weight of 435.32 g/mol, XLogP of 3.86, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-(2-methoxyethylcarbamoyl)phenyl]-2-propan-2-yloxybenzamide is sourced from PubChem (CID 17219067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).