4-[4-[(2-bromo-5-fluorophenyl)methylcarbamoyl]phenoxy]benzamide

C21H16BrFN2O3 — CID 56548854

IUPAC4-[4-[(2-bromo-5-fluorophenyl)methylcarbamoyl]phenoxy]benzamide
SMILESNC(=O)c1ccc(Oc2ccc(C(=O)NCc3cc(F)ccc3Br)cc2)cc1
InChIInChI=1S/C21H16BrFN2O3/c22-19-10-5-16(23)11-15(19)12-25-21(27)14-3-8-18(9-4-14)28-17-6-1-13(2-7-17)20(24)26/h1-11H,12H2,(H2,24,26)(H,25,27)
InChIKeyOTWURCOJWCACDE-UHFFFAOYSA-N
MW443.27 g/mol
LogP4.41
Rot. Bonds6

About 4-[4-[(2-bromo-5-fluorophenyl)methylcarbamoyl]phenoxy]benzamide

4-[4-[(2-bromo-5-fluorophenyl)methylcarbamoyl]phenoxy]benzamide (PubChem CID 56548854) has the molecular formula C21H16BrFN2O3 and a molecular weight of 443.27 g/mol. Its IUPAC name is 4-[4-[(2-bromo-5-fluorophenyl)methylcarbamoyl]phenoxy]benzamide.

Molecular Properties

Compound Name4-[4-[(2-bromo-5-fluorophenyl)methylcarbamoyl]phenoxy]benzamide
PubChem CID56548854
Molecular FormulaC21H16BrFN2O3
Molecular Weight443.27 g/mol
Exact Mass442.03
IUPAC Name4-[4-[(2-bromo-5-fluorophenyl)methylcarbamoyl]phenoxy]benzamide
SMILESNC(=O)c1ccc(Oc2ccc(C(=O)NCc3cc(F)ccc3Br)cc2)cc1
InChIInChI=1S/C21H16BrFN2O3/c22-19-10-5-16(23)11-15(19)12-25-21(27)14-3-8-18(9-4-14)28-17-6-1-13(2-7-17)20(24)26/h1-11H,12H2,(H2,24,26)(H,25,27)
InChIKeyOTWURCOJWCACDE-UHFFFAOYSA-N
XLogP4.41
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.27
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-bromo-5-fluorophenyl)methyl]-6-fluoropyridine-3-carboxamide
CID 63978201
4-(4-fluorophenoxy)benzamide
CID 22142233
2-bromo-N-[(2-bromo-5-fluorophenyl)methyl]acetamide
CID 63679531
4-[[(2-bromo-5-fluorophenyl)methylamino]methyl]-3-chlorobenzamide
CID 102664164
3-[(2-bromo-5-fluorophenyl)methylamino]-4-methoxybenzamide
CID 103866343
4-[4-fluoro-2-(hydroxymethyl)phenoxy]benzamide
CID 43313468
[4-[(2-bromo-5-fluorophenyl)methylcarbamoyl]-2-formylphenyl]boronic acid
CID 166430834
4-[4-(hydrazinecarbonyl)phenoxy]benzamide
CID 145084998
3-amino-N-[(2-bromo-5-fluorophenyl)methyl]-1H-pyrazole-5-carboxamide
CID 64524304
3-bromo-N-[(2-bromo-5-fluorophenyl)methyl]prop-2-ynamide
CID 131097698
5-amino-N-[(2-bromo-5-fluorophenyl)methyl]-2-methoxybenzamide
CID 61139839
4-[(2-bromo-4-fluorophenyl)methylamino]benzamide
CID 28576301

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2-bromo-5-fluorophenyl)methylcarbamoyl]phenoxy]benzamide?
The IUPAC name of 4-[4-[(2-bromo-5-fluorophenyl)methylcarbamoyl]phenoxy]benzamide (CID 56548854) is 4-[4-[(2-bromo-5-fluorophenyl)methylcarbamoyl]phenoxy]benzamide.
What is the SMILES notation for 4-[4-[(2-bromo-5-fluorophenyl)methylcarbamoyl]phenoxy]benzamide?
The canonical SMILES for 4-[4-[(2-bromo-5-fluorophenyl)methylcarbamoyl]phenoxy]benzamide is NC(=O)c1ccc(Oc2ccc(C(=O)NCc3cc(F)ccc3Br)cc2)cc1.
What is the InChIKey of 4-[4-[(2-bromo-5-fluorophenyl)methylcarbamoyl]phenoxy]benzamide?
The InChIKey is OTWURCOJWCACDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16BrFN2O3/c22-19-10-5-16(23)11-15(19)12-25-21(27)14-3-8-18(9-4-14)28-17-6-1-13(2-7-17)20(24)26/h1-11H,12H2,(H2,24,26)(H,25,27).
What are the key properties of 4-[4-[(2-bromo-5-fluorophenyl)methylcarbamoyl]phenoxy]benzamide?
4-[4-[(2-bromo-5-fluorophenyl)methylcarbamoyl]phenoxy]benzamide has a molecular weight of 443.27 g/mol, XLogP of 4.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2-bromo-5-fluorophenyl)methylcarbamoyl]phenoxy]benzamide is sourced from PubChem (CID 56548854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).