2-bromo-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-5-fluorobenzamide

C18H10BrCl2FN2O2 — CID 112827772

IUPAC2-bromo-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-5-fluorobenzamide
SMILESO=C(Nc1ccccc1Oc1ncc(Cl)cc1Cl)c1cc(F)ccc1Br
InChIInChI=1S/C18H10BrCl2FN2O2/c19-13-6-5-11(22)8-12(13)17(25)24-15-3-1-2-4-16(15)26-18-14(21)7-10(20)9-23-18/h1-9H,(H,24,25)
InChIKeyRRWWRIGORZMWPC-UHFFFAOYSA-N
MW456.10 g/mol
LogP6.33
Rot. Bonds4

About 2-bromo-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-5-fluorobenzamide

2-bromo-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-5-fluorobenzamide (PubChem CID 112827772) has the molecular formula C18H10BrCl2FN2O2 and a molecular weight of 456.10 g/mol. Its IUPAC name is 2-bromo-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-5-fluorobenzamide.

Molecular Properties

Compound Name2-bromo-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-5-fluorobenzamide
PubChem CID112827772
Molecular FormulaC18H10BrCl2FN2O2
Molecular Weight456.10 g/mol
Exact Mass453.93
IUPAC Name2-bromo-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-5-fluorobenzamide
SMILESO=C(Nc1ccccc1Oc1ncc(Cl)cc1Cl)c1cc(F)ccc1Br
InChIInChI=1S/C18H10BrCl2FN2O2/c19-13-6-5-11(22)8-12(13)17(25)24-15-3-1-2-4-16(15)26-18-14(21)7-10(20)9-23-18/h1-9H,(H,24,25)
InChIKeyRRWWRIGORZMWPC-UHFFFAOYSA-N
XLogP6.33
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.10
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-2,5-dimethylbenzamide
CID 55729425
N-[4-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]-4-oxobutyl]-2,4-difluorobenzamide
CID 112831231
2-bromo-N-(2,6-dichlorophenyl)-5-fluorobenzamide
CID 60667247
2-bromo-4-fluoro-N-(2-phenoxyphenyl)benzamide
CID 55386883
N-(2-bromo-5-fluorophenyl)-2-methoxypyridine-3-carboxamide
CID 103753597
2-[(3,5-dichloro-2-pyridinyl)oxy]-4-fluorobenzoic acid
CID 107016480
2-[(2-bromo-5-fluorobenzoyl)amino]benzoic acid
CID 16773060
2-bromo-N-(2-bromo-5-chloro-4-methylphenyl)-5-fluorobenzamide
CID 104724173
2-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]-N-(3,4-difluorophenyl)acetamide
CID 55766468
N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 112831271
N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-6-pyrazol-1-ylpyridine-3-carboxamide
CID 55764817
2-bromo-N-(2,3-dimethylphenyl)-5-fluorobenzamide
CID 24695663

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-5-fluorobenzamide?
The IUPAC name of 2-bromo-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-5-fluorobenzamide (CID 112827772) is 2-bromo-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-5-fluorobenzamide.
What is the SMILES notation for 2-bromo-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-5-fluorobenzamide?
The canonical SMILES for 2-bromo-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-5-fluorobenzamide is O=C(Nc1ccccc1Oc1ncc(Cl)cc1Cl)c1cc(F)ccc1Br.
What is the InChIKey of 2-bromo-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-5-fluorobenzamide?
The InChIKey is RRWWRIGORZMWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10BrCl2FN2O2/c19-13-6-5-11(22)8-12(13)17(25)24-15-3-1-2-4-16(15)26-18-14(21)7-10(20)9-23-18/h1-9H,(H,24,25).
What are the key properties of 2-bromo-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-5-fluorobenzamide?
2-bromo-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-5-fluorobenzamide has a molecular weight of 456.10 g/mol, XLogP of 6.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-5-fluorobenzamide is sourced from PubChem (CID 112827772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).