3-[[3-(3-bromo-4-methoxyphenyl)propanoylamino]methyl]-N-phenylbenzamide

C24H23BrN2O3 — CID 46466173

IUPAC3-[[3-(3-bromo-4-methoxyphenyl)propanoylamino]methyl]-N-phenylbenzamide
SMILESCOc1ccc(CCC(=O)NCc2cccc(C(=O)Nc3ccccc3)c2)cc1Br
InChIInChI=1S/C24H23BrN2O3/c1-30-22-12-10-17(15-21(22)25)11-13-23(28)26-16-18-6-5-7-19(14-18)24(29)27-20-8-3-2-4-9-20/h2-10,12,14-15H,11,13,16H2,1H3,(H,26,28)(H,27,29)
InChIKeyCVNIWFAZERYPJZ-UHFFFAOYSA-N
MW467.36 g/mol
LogP4.96
Rot. Bonds8

About 3-[[3-(3-bromo-4-methoxyphenyl)propanoylamino]methyl]-N-phenylbenzamide

3-[[3-(3-bromo-4-methoxyphenyl)propanoylamino]methyl]-N-phenylbenzamide (PubChem CID 46466173) has the molecular formula C24H23BrN2O3 and a molecular weight of 467.36 g/mol. Its IUPAC name is 3-[[3-(3-bromo-4-methoxyphenyl)propanoylamino]methyl]-N-phenylbenzamide.

Molecular Properties

Compound Name3-[[3-(3-bromo-4-methoxyphenyl)propanoylamino]methyl]-N-phenylbenzamide
PubChem CID46466173
Molecular FormulaC24H23BrN2O3
Molecular Weight467.36 g/mol
Exact Mass466.09
IUPAC Name3-[[3-(3-bromo-4-methoxyphenyl)propanoylamino]methyl]-N-phenylbenzamide
SMILESCOc1ccc(CCC(=O)NCc2cccc(C(=O)Nc3ccccc3)c2)cc1Br
InChIInChI=1S/C24H23BrN2O3/c1-30-22-12-10-17(15-21(22)25)11-13-23(28)26-16-18-6-5-7-19(14-18)24(29)27-20-8-3-2-4-9-20/h2-10,12,14-15H,11,13,16H2,1H3,(H,26,28)(H,27,29)
InChIKeyCVNIWFAZERYPJZ-UHFFFAOYSA-N
XLogP4.96
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.36
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[3-(4-ethylphenyl)propanoylamino]methyl]-N-phenylbenzamide
CID 46466164
N-[(3-bromo-4-methoxyphenyl)methyl]benzamide
CID 72547442
N'-[3-(3-bromo-4-methoxyphenyl)propanoyl]benzohydrazide
CID 35556165
N-[(3,4-dimethoxyphenyl)methyl]-3-phenylpropanamide
CID 803893
3-bromo-4-methoxy-N-[4-[(2-phenylacetyl)amino]phenyl]benzamide
CID 2236980
3-(3-bromo-4-methoxyphenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide
CID 46568198
3-(3-bromo-4-methoxyphenyl)-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]propanamide
CID 55769053
3-[[[2-(2,4-dimethylphenoxy)acetyl]amino]methyl]-N-phenylbenzamide
CID 46475227
N-[(3-bromo-4-methoxyphenyl)methyl]-3-chloropropanamide
CID 115162492
3-(3-bromo-4-methoxyphenyl)-N-(thiophen-2-ylmethyl)propanamide
CID 35678444
N-[3-[3-(3-bromo-4-methoxyphenyl)propanoylamino]phenyl]thiophene-2-carboxamide
CID 46568166
N-[(3-bromo-4-methoxyphenyl)methyl]propanamide
CID 110780657

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(3-bromo-4-methoxyphenyl)propanoylamino]methyl]-N-phenylbenzamide?
The IUPAC name of 3-[[3-(3-bromo-4-methoxyphenyl)propanoylamino]methyl]-N-phenylbenzamide (CID 46466173) is 3-[[3-(3-bromo-4-methoxyphenyl)propanoylamino]methyl]-N-phenylbenzamide.
What is the SMILES notation for 3-[[3-(3-bromo-4-methoxyphenyl)propanoylamino]methyl]-N-phenylbenzamide?
The canonical SMILES for 3-[[3-(3-bromo-4-methoxyphenyl)propanoylamino]methyl]-N-phenylbenzamide is COc1ccc(CCC(=O)NCc2cccc(C(=O)Nc3ccccc3)c2)cc1Br.
What is the InChIKey of 3-[[3-(3-bromo-4-methoxyphenyl)propanoylamino]methyl]-N-phenylbenzamide?
The InChIKey is CVNIWFAZERYPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23BrN2O3/c1-30-22-12-10-17(15-21(22)25)11-13-23(28)26-16-18-6-5-7-19(14-18)24(29)27-20-8-3-2-4-9-20/h2-10,12,14-15H,11,13,16H2,1H3,(H,26,28)(H,27,29).
What are the key properties of 3-[[3-(3-bromo-4-methoxyphenyl)propanoylamino]methyl]-N-phenylbenzamide?
3-[[3-(3-bromo-4-methoxyphenyl)propanoylamino]methyl]-N-phenylbenzamide has a molecular weight of 467.36 g/mol, XLogP of 4.96, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(3-bromo-4-methoxyphenyl)propanoylamino]methyl]-N-phenylbenzamide is sourced from PubChem (CID 46466173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).