N-benzyl-2-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]benzamide

C22H18BrFN2O3 — CID 17442660

IUPACN-benzyl-2-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]benzamide
SMILESO=C(COc1ccc(Br)cc1F)Nc1ccccc1C(=O)NCc1ccccc1
InChIInChI=1S/C22H18BrFN2O3/c23-16-10-11-20(18(24)12-16)29-14-21(27)26-19-9-5-4-8-17(19)22(28)25-13-15-6-2-1-3-7-15/h1-12H,13-14H2,(H,25,28)(H,26,27)
InChIKeyWUDSKTAKTFIYIM-UHFFFAOYSA-N
MW457.30 g/mol
LogP4.54
Rot. Bonds7

About N-benzyl-2-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]benzamide

N-benzyl-2-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]benzamide (PubChem CID 17442660) has the molecular formula C22H18BrFN2O3 and a molecular weight of 457.30 g/mol. Its IUPAC name is N-benzyl-2-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-benzyl-2-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]benzamide
PubChem CID17442660
Molecular FormulaC22H18BrFN2O3
Molecular Weight457.30 g/mol
Exact Mass456.05
IUPAC NameN-benzyl-2-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]benzamide
SMILESO=C(COc1ccc(Br)cc1F)Nc1ccccc1C(=O)NCc1ccccc1
InChIInChI=1S/C22H18BrFN2O3/c23-16-10-11-20(18(24)12-16)29-14-21(27)26-19-9-5-4-8-17(19)22(28)25-13-15-6-2-1-3-7-15/h1-12H,13-14H2,(H,25,28)(H,26,27)
InChIKeyWUDSKTAKTFIYIM-UHFFFAOYSA-N
XLogP4.54
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.30
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-3-oxopropyl)-2-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]benzamide
CID 56516276
2-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]benzamide
CID 7500273
2-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-(2-phenylethyl)benzamide
CID 4929767
2-(4-bromo-2-fluorophenoxy)-N-(2-ethylphenyl)acetamide
CID 26036611
2-[[2-(2,4-dibromophenoxy)acetyl]amino]-N-ethylbenzamide
CID 4949434
N'-[2-(4-bromo-2-fluorophenoxy)acetyl]-2-hydroxybenzohydrazide
CID 27693652
2-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-N-ethylbenzamide
CID 4949446
2-[[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]amino]-N-(2-phenylethyl)benzamide
CID 17188917
2-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-N-methylbenzamide
CID 17354006
2-(4-bromo-2-fluorophenoxy)-N-[2-(difluoromethoxy)phenyl]acetamide
CID 26894979
2-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 17051643
2-(4-bromo-2-fluorophenoxy)-N-(pyridin-4-ylmethyl)acetamide
CID 2620956

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]benzamide?
The IUPAC name of N-benzyl-2-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]benzamide (CID 17442660) is N-benzyl-2-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]benzamide.
What is the SMILES notation for N-benzyl-2-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]benzamide?
The canonical SMILES for N-benzyl-2-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]benzamide is O=C(COc1ccc(Br)cc1F)Nc1ccccc1C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]benzamide?
The InChIKey is WUDSKTAKTFIYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18BrFN2O3/c23-16-10-11-20(18(24)12-16)29-14-21(27)26-19-9-5-4-8-17(19)22(28)25-13-15-6-2-1-3-7-15/h1-12H,13-14H2,(H,25,28)(H,26,27).
What are the key properties of N-benzyl-2-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]benzamide?
N-benzyl-2-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]benzamide has a molecular weight of 457.30 g/mol, XLogP of 4.54, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]benzamide is sourced from PubChem (CID 17442660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).