2-bromo-N-[4-[2-oxo-2-(1-phenylethylamino)ethoxy]phenyl]benzamide

C23H21BrN2O3 — CID 4793445

IUPAC2-bromo-N-[4-[2-oxo-2-(1-phenylethylamino)ethoxy]phenyl]benzamide
SMILESCC(NC(=O)COc1ccc(NC(=O)c2ccccc2Br)cc1)c1ccccc1
InChIInChI=1S/C23H21BrN2O3/c1-16(17-7-3-2-4-8-17)25-22(27)15-29-19-13-11-18(12-14-19)26-23(28)20-9-5-6-10-21(20)24/h2-14,16H,15H2,1H3,(H,25,27)(H,26,28)
InChIKeyGXBZKZKHBMWZLZ-UHFFFAOYSA-N
MW453.34 g/mol
LogP4.96
Rot. Bonds7

About 2-bromo-N-[4-[2-oxo-2-(1-phenylethylamino)ethoxy]phenyl]benzamide

2-bromo-N-[4-[2-oxo-2-(1-phenylethylamino)ethoxy]phenyl]benzamide (PubChem CID 4793445) has the molecular formula C23H21BrN2O3 and a molecular weight of 453.34 g/mol. Its IUPAC name is 2-bromo-N-[4-[2-oxo-2-(1-phenylethylamino)ethoxy]phenyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[4-[2-oxo-2-(1-phenylethylamino)ethoxy]phenyl]benzamide
PubChem CID4793445
Molecular FormulaC23H21BrN2O3
Molecular Weight453.34 g/mol
Exact Mass452.07
IUPAC Name2-bromo-N-[4-[2-oxo-2-(1-phenylethylamino)ethoxy]phenyl]benzamide
SMILESCC(NC(=O)COc1ccc(NC(=O)c2ccccc2Br)cc1)c1ccccc1
InChIInChI=1S/C23H21BrN2O3/c1-16(17-7-3-2-4-8-17)25-22(27)15-29-19-13-11-18(12-14-19)26-23(28)20-9-5-6-10-21(20)24/h2-14,16H,15H2,1H3,(H,25,27)(H,26,28)
InChIKeyGXBZKZKHBMWZLZ-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

2-(4-bromophenoxy)-N-[(1S)-1-phenylethyl]acetamide
CID 879347
4-[[2-(4-bromophenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 43887517
2-(4-methoxyphenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 836085
2-[[2-(4-anilinophenoxy)acetyl]amino]-N-[(1R)-1-phenylethyl]benzamide
CID 2449612
N-(1-phenylethyl)-4-[[2-(4-phenylphenoxy)acetyl]amino]benzamide
CID 43887555
2-(4-cyanophenoxy)-N-[(1S)-1-phenylethyl]acetamide
CID 2711808
N-(2-bromophenyl)-N'-[(Z)-[4-[2-oxo-2-(1-phenylethylamino)ethoxy]phenyl]methylideneamino]oxamide
CID 6072071
2-[(2-bromobenzoyl)amino]-N-(1-phenylethyl)benzamide
CID 4935078
2-(3,5-dichlorophenoxy)-N-(1-phenylethyl)acetamide
CID 18165800
2-[[2-(4-fluorophenoxy)acetyl]amino]-N-[(1R)-1-phenylethyl]benzamide
CID 7894311
2-[[2-(4-methylphenoxy)acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide
CID 7894290
N-[3-[(1S)-1-[[2-(4-methoxyphenoxy)acetyl]amino]ethyl]phenyl]benzamide
CID 51727122

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[4-[2-oxo-2-(1-phenylethylamino)ethoxy]phenyl]benzamide?
The IUPAC name of 2-bromo-N-[4-[2-oxo-2-(1-phenylethylamino)ethoxy]phenyl]benzamide (CID 4793445) is 2-bromo-N-[4-[2-oxo-2-(1-phenylethylamino)ethoxy]phenyl]benzamide.
What is the SMILES notation for 2-bromo-N-[4-[2-oxo-2-(1-phenylethylamino)ethoxy]phenyl]benzamide?
The canonical SMILES for 2-bromo-N-[4-[2-oxo-2-(1-phenylethylamino)ethoxy]phenyl]benzamide is CC(NC(=O)COc1ccc(NC(=O)c2ccccc2Br)cc1)c1ccccc1.
What is the InChIKey of 2-bromo-N-[4-[2-oxo-2-(1-phenylethylamino)ethoxy]phenyl]benzamide?
The InChIKey is GXBZKZKHBMWZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21BrN2O3/c1-16(17-7-3-2-4-8-17)25-22(27)15-29-19-13-11-18(12-14-19)26-23(28)20-9-5-6-10-21(20)24/h2-14,16H,15H2,1H3,(H,25,27)(H,26,28).
What are the key properties of 2-bromo-N-[4-[2-oxo-2-(1-phenylethylamino)ethoxy]phenyl]benzamide?
2-bromo-N-[4-[2-oxo-2-(1-phenylethylamino)ethoxy]phenyl]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 2-bromo-N-[4-[2-oxo-2-(1-phenylethylamino)ethoxy]phenyl]benzamide is sourced from PubChem (CID 4793445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).