5-bromo-N-[2-methyl-3-(propanoylamino)phenyl]-2-propoxybenzamide

C20H23BrN2O3 — CID 46760619

IUPAC5-bromo-N-[2-methyl-3-(propanoylamino)phenyl]-2-propoxybenzamide
SMILESCCCOc1ccc(Br)cc1C(=O)Nc1cccc(NC(=O)CC)c1C
InChIInChI=1S/C20H23BrN2O3/c1-4-11-26-18-10-9-14(21)12-15(18)20(25)23-17-8-6-7-16(13(17)3)22-19(24)5-2/h6-10,12H,4-5,11H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyFLXWTZWMHRAXDC-UHFFFAOYSA-N
MW419.32 g/mol
LogP5.15
Rot. Bonds7

About 5-bromo-N-[2-methyl-3-(propanoylamino)phenyl]-2-propoxybenzamide

5-bromo-N-[2-methyl-3-(propanoylamino)phenyl]-2-propoxybenzamide (PubChem CID 46760619) has the molecular formula C20H23BrN2O3 and a molecular weight of 419.32 g/mol. Its IUPAC name is 5-bromo-N-[2-methyl-3-(propanoylamino)phenyl]-2-propoxybenzamide.

Molecular Properties

Compound Name5-bromo-N-[2-methyl-3-(propanoylamino)phenyl]-2-propoxybenzamide
PubChem CID46760619
Molecular FormulaC20H23BrN2O3
Molecular Weight419.32 g/mol
Exact Mass418.09
IUPAC Name5-bromo-N-[2-methyl-3-(propanoylamino)phenyl]-2-propoxybenzamide
SMILESCCCOc1ccc(Br)cc1C(=O)Nc1cccc(NC(=O)CC)c1C
InChIInChI=1S/C20H23BrN2O3/c1-4-11-26-18-10-9-14(21)12-15(18)20(25)23-17-8-6-7-16(13(17)3)22-19(24)5-2/h6-10,12H,4-5,11H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyFLXWTZWMHRAXDC-UHFFFAOYSA-N
XLogP5.15
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 ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-(2-methoxyethoxy)-N-[2-methyl-3-(propanoylamino)phenyl]benzamide
CID 46760627
5-bromo-N-(2,3-dimethylphenyl)-2-propoxybenzamide
CID 17351460
5-bromo-2-butoxy-N-(2,3-dimethylphenyl)benzamide
CID 17350009
3-bromo-N-[2-methyl-3-(propanoylamino)phenyl]-4-propoxybenzamide
CID 46760614
5-bromo-N-[[2-methyl-3-(propanoylamino)phenyl]carbamothioyl]-2-(2-methylpropoxy)benzamide
CID 46760899
methyl 3-[(5-bromo-2-ethoxybenzoyl)amino]-2-methylbenzoate
CID 17341933
5-bromo-N-(4-iodophenyl)-2-propoxybenzamide
CID 17351391
5-bromo-2-propoxy-N-(2,4,6-trimethylphenyl)benzamide
CID 17351395
5-bromo-N-(3-fluorophenyl)-2-propoxybenzamide
CID 54788444
5-bromo-N-(2,4-dichlorophenyl)-2-propoxybenzamide
CID 17351367
5-bromo-N-[3-[(3-methylphenyl)carbamoyl]phenyl]-2-propoxybenzamide
CID 26164769
5-bromo-2-(2-methoxyethoxy)-N-naphthalen-1-ylbenzamide
CID 17357158

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-methyl-3-(propanoylamino)phenyl]-2-propoxybenzamide?
The IUPAC name of 5-bromo-N-[2-methyl-3-(propanoylamino)phenyl]-2-propoxybenzamide (CID 46760619) is 5-bromo-N-[2-methyl-3-(propanoylamino)phenyl]-2-propoxybenzamide.
What is the SMILES notation for 5-bromo-N-[2-methyl-3-(propanoylamino)phenyl]-2-propoxybenzamide?
The canonical SMILES for 5-bromo-N-[2-methyl-3-(propanoylamino)phenyl]-2-propoxybenzamide is CCCOc1ccc(Br)cc1C(=O)Nc1cccc(NC(=O)CC)c1C.
What is the InChIKey of 5-bromo-N-[2-methyl-3-(propanoylamino)phenyl]-2-propoxybenzamide?
The InChIKey is FLXWTZWMHRAXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2O3/c1-4-11-26-18-10-9-14(21)12-15(18)20(25)23-17-8-6-7-16(13(17)3)22-19(24)5-2/h6-10,12H,4-5,11H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of 5-bromo-N-[2-methyl-3-(propanoylamino)phenyl]-2-propoxybenzamide?
5-bromo-N-[2-methyl-3-(propanoylamino)phenyl]-2-propoxybenzamide has a molecular weight of 419.32 g/mol, XLogP of 5.15, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-methyl-3-(propanoylamino)phenyl]-2-propoxybenzamide is sourced from PubChem (CID 46760619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).