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

C15H12BrFN2O3 — CID 7500273

IUPAC2-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]benzamide
SMILESNC(=O)c1ccccc1NC(=O)COc1ccc(Br)cc1F
InChIInChI=1S/C15H12BrFN2O3/c16-9-5-6-13(11(17)7-9)22-8-14(20)19-12-4-2-1-3-10(12)15(18)21/h1-7H,8H2,(H2,18,21)(H,19,20)
InChIKeyKEHFJTSUCGARQX-UHFFFAOYSA-N
MW367.17 g/mol
LogP2.70
Rot. Bonds5

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

2-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]benzamide (PubChem CID 7500273) has the molecular formula C15H12BrFN2O3 and a molecular weight of 367.17 g/mol. Its IUPAC name is 2-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]benzamide.

Molecular Properties

Compound Name2-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]benzamide
PubChem CID7500273
Molecular FormulaC15H12BrFN2O3
Molecular Weight367.17 g/mol
Exact Mass366.00
IUPAC Name2-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]benzamide
SMILESNC(=O)c1ccccc1NC(=O)COc1ccc(Br)cc1F
InChIInChI=1S/C15H12BrFN2O3/c16-9-5-6-13(11(17)7-9)22-8-14(20)19-12-4-2-1-3-10(12)15(18)21/h1-7H,8H2,(H2,18,21)(H,19,20)
InChIKeyKEHFJTSUCGARQX-UHFFFAOYSA-N
XLogP2.70
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.17
LogP ≤ 52.70
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
N-benzyl-2-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]benzamide
CID 17442660
2-(4-bromo-2-fluorophenoxy)-N-(2-ethylphenyl)acetamide
CID 26036611
2-(4-bromo-2-fluorophenoxy)-N-[2-(difluoromethoxy)phenyl]acetamide
CID 26894979
N'-[2-(4-bromo-2-fluorophenoxy)acetyl]-2-hydroxybenzohydrazide
CID 27693652
2-(4-bromo-2-fluorophenoxy)-N-(2-chloro-3-pyridinyl)acetamide
CID 2522815
2-(4-bromo-2-fluorophenoxy)-N-(2,4-difluorophenyl)acetamide
CID 2523027
N-(4-amino-2-chlorophenyl)-2-(4-bromo-2-fluorophenoxy)acetamide
CID 28971332
N-(5-amino-2-chlorophenyl)-2-(4-bromo-2-fluorophenoxy)acetamide
CID 43376777
N-(5-amino-2-methylphenyl)-2-(4-bromo-2-fluorophenoxy)acetamide
CID 28971329
N-(2-aminophenyl)-2-(2,4-dibromophenoxy)acetamide
CID 64720408
methyl 2-[[2-(2,4-difluorophenoxy)acetyl]amino]benzoate
CID 797161

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]benzamide?
The IUPAC name of 2-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]benzamide (CID 7500273) is 2-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]benzamide.
What is the SMILES notation for 2-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]benzamide?
The canonical SMILES for 2-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]benzamide is NC(=O)c1ccccc1NC(=O)COc1ccc(Br)cc1F.
What is the InChIKey of 2-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]benzamide?
The InChIKey is KEHFJTSUCGARQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFN2O3/c16-9-5-6-13(11(17)7-9)22-8-14(20)19-12-4-2-1-3-10(12)15(18)21/h1-7H,8H2,(H2,18,21)(H,19,20).
What are the key properties of 2-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]benzamide?
2-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]benzamide has a molecular weight of 367.17 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]benzamide is sourced from PubChem (CID 7500273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).