4-[[2-(4-bromophenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide

C23H21BrN2O3 — CID 43887517

IUPAC4-[[2-(4-bromophenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide
SMILESCC(NC(=O)c1ccc(NC(=O)COc2ccc(Br)cc2)cc1)c1ccccc1
InChIInChI=1S/C23H21BrN2O3/c1-16(17-5-3-2-4-6-17)25-23(28)18-7-11-20(12-8-18)26-22(27)15-29-21-13-9-19(24)10-14-21/h2-14,16H,15H2,1H3,(H,25,28)(H,26,27)
InChIKeyZRQOSAVMKCGNPA-UHFFFAOYSA-N
MW453.34 g/mol
LogP4.96
Rot. Bonds7

About 4-[[2-(4-bromophenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide

4-[[2-(4-bromophenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide (PubChem CID 43887517) has the molecular formula C23H21BrN2O3 and a molecular weight of 453.34 g/mol. Its IUPAC name is 4-[[2-(4-bromophenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name4-[[2-(4-bromophenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide
PubChem CID43887517
Molecular FormulaC23H21BrN2O3
Molecular Weight453.34 g/mol
Exact Mass452.07
IUPAC Name4-[[2-(4-bromophenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide
SMILESCC(NC(=O)c1ccc(NC(=O)COc2ccc(Br)cc2)cc1)c1ccccc1
InChIInChI=1S/C23H21BrN2O3/c1-16(17-5-3-2-4-6-17)25-23(28)18-7-11-20(12-8-18)26-22(27)15-29-21-13-9-19(24)10-14-21/h2-14,16H,15H2,1H3,(H,25,28)(H,26,27)
InChIKeyZRQOSAVMKCGNPA-UHFFFAOYSA-N
XLogP4.96
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.34
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-phenylethyl)-4-[[2-(4-phenylphenoxy)acetyl]amino]benzamide
CID 43887555
4-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 43887543
2-(4-bromophenoxy)-N-[(1S)-1-phenylethyl]acetamide
CID 879347
4-[[2-(3-ethylphenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 43912204
N-(1-phenylethyl)-4-[[2-(2-propan-2-ylphenoxy)acetyl]amino]benzamide
CID 43887467
3-[(2-phenoxyacetyl)amino]-N-(1-phenylethyl)benzamide
CID 43877736
2-(4-bromophenoxy)-N-(4-propan-2-ylphenyl)acetamide
CID 759062
4-[[4-(2-ethoxyethoxy)benzoyl]amino]-N-(1-phenylethyl)benzamide
CID 43887636
2-bromo-N-[4-[2-oxo-2-(1-phenylethylamino)ethoxy]phenyl]benzamide
CID 4793445
4-[[2-oxo-2-(4-phenylmethoxyanilino)ethyl]amino]-N-(1-phenylethyl)benzamide
CID 54846404
N-propan-2-yl-4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzamide
CID 26157459
3-[[2-(4-ethylphenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 43877775

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-bromophenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide?
The IUPAC name of 4-[[2-(4-bromophenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide (CID 43887517) is 4-[[2-(4-bromophenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 4-[[2-(4-bromophenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide?
The canonical SMILES for 4-[[2-(4-bromophenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide is CC(NC(=O)c1ccc(NC(=O)COc2ccc(Br)cc2)cc1)c1ccccc1.
What is the InChIKey of 4-[[2-(4-bromophenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide?
The InChIKey is ZRQOSAVMKCGNPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21BrN2O3/c1-16(17-5-3-2-4-6-17)25-23(28)18-7-11-20(12-8-18)26-22(27)15-29-21-13-9-19(24)10-14-21/h2-14,16H,15H2,1H3,(H,25,28)(H,26,27).
What are the key properties of 4-[[2-(4-bromophenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide?
4-[[2-(4-bromophenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide has a molecular weight of 453.34 g/mol, XLogP of 4.96, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-bromophenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 43887517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).