3-bromo-5-chloro-N-[3-chloro-4-(4-chloronaphthalen-1-yl)oxyphenyl]-2-hydroxybenzamide

C23H13BrCl3NO3 — CID 3555435

IUPAC3-bromo-5-chloro-N-[3-chloro-4-(4-chloronaphthalen-1-yl)oxyphenyl]-2-hydroxybenzamide
SMILESO=C(Nc1ccc(Oc2ccc(Cl)c3ccccc23)c(Cl)c1)c1cc(Cl)cc(Br)c1O
InChIInChI=1S/C23H13BrCl3NO3/c24-17-10-12(25)9-16(22(17)29)23(30)28-13-5-7-21(19(27)11-13)31-20-8-6-18(26)14-3-1-2-4-15(14)20/h1-11,29H,(H,28,30)
InChIKeyKJZUZCGGDGDWEU-UHFFFAOYSA-N
MW537.62 g/mol
LogP8.31
Rot. Bonds4

About 3-bromo-5-chloro-N-[3-chloro-4-(4-chloronaphthalen-1-yl)oxyphenyl]-2-hydroxybenzamide

3-bromo-5-chloro-N-[3-chloro-4-(4-chloronaphthalen-1-yl)oxyphenyl]-2-hydroxybenzamide (PubChem CID 3555435) has the molecular formula C23H13BrCl3NO3 and a molecular weight of 537.62 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-[3-chloro-4-(4-chloronaphthalen-1-yl)oxyphenyl]-2-hydroxybenzamide.

Molecular Properties

Compound Name3-bromo-5-chloro-N-[3-chloro-4-(4-chloronaphthalen-1-yl)oxyphenyl]-2-hydroxybenzamide
PubChem CID3555435
Molecular FormulaC23H13BrCl3NO3
Molecular Weight537.62 g/mol
Exact Mass534.91
IUPAC Name3-bromo-5-chloro-N-[3-chloro-4-(4-chloronaphthalen-1-yl)oxyphenyl]-2-hydroxybenzamide
SMILESO=C(Nc1ccc(Oc2ccc(Cl)c3ccccc23)c(Cl)c1)c1cc(Cl)cc(Br)c1O
InChIInChI=1S/C23H13BrCl3NO3/c24-17-10-12(25)9-16(22(17)29)23(30)28-13-5-7-21(19(27)11-13)31-20-8-6-18(26)14-3-1-2-4-15(14)20/h1-11,29H,(H,28,30)
InChIKeyKJZUZCGGDGDWEU-UHFFFAOYSA-N
XLogP8.31
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.62
LogP ≤ 58.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromo-4-phenoxyphenyl)-3,5-dichloro-2-hydroxybenzamide
CID 162656930
3,5-dichloro-N-[3-chloro-4-(3,5-dichlorophenoxy)phenyl]-2-hydroxybenzamide
CID 162650090
N-[4-(4-bromonaphthalen-1-yl)oxy-3-chlorophenyl]acetamide
CID 539400
N-[3-chloro-4-(4-chlorophenoxy)phenyl]-2-hydroxybenzamide
CID 12598084
N-[4-(1-bromonaphthalen-2-yl)oxy-3-chlorophenyl]-4-hydroxybenzamide
CID 162650394
2-bromo-4-chloro-N-(3-chloro-4-methoxyphenyl)benzamide
CID 103763233
N-[3-chloro-4-(4-chloronaphthalen-1-yl)oxyphenyl]-2-(2-methoxyphenyl)acetamide
CID 23792360
2,5-dichloro-N-(3,5-dibromo-4-hydroxyphenyl)benzamide
CID 5119267
N-(5-benzoyl-2-chlorophenyl)-3-bromo-5-chloro-2-hydroxybenzamide
CID 71343570
3,5-dichloro-N-[3-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-2-hydroxybenzamide
CID 10116535
N-[3-(benzenesulfonyl)-4-chlorophenyl]-3,5-dibromo-2-hydroxybenzamide
CID 11307304
2-bromo-N-(4-chloro-3-fluorophenyl)benzamide
CID 47227901

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-[3-chloro-4-(4-chloronaphthalen-1-yl)oxyphenyl]-2-hydroxybenzamide?
The IUPAC name of 3-bromo-5-chloro-N-[3-chloro-4-(4-chloronaphthalen-1-yl)oxyphenyl]-2-hydroxybenzamide (CID 3555435) is 3-bromo-5-chloro-N-[3-chloro-4-(4-chloronaphthalen-1-yl)oxyphenyl]-2-hydroxybenzamide.
What is the SMILES notation for 3-bromo-5-chloro-N-[3-chloro-4-(4-chloronaphthalen-1-yl)oxyphenyl]-2-hydroxybenzamide?
The canonical SMILES for 3-bromo-5-chloro-N-[3-chloro-4-(4-chloronaphthalen-1-yl)oxyphenyl]-2-hydroxybenzamide is O=C(Nc1ccc(Oc2ccc(Cl)c3ccccc23)c(Cl)c1)c1cc(Cl)cc(Br)c1O.
What is the InChIKey of 3-bromo-5-chloro-N-[3-chloro-4-(4-chloronaphthalen-1-yl)oxyphenyl]-2-hydroxybenzamide?
The InChIKey is KJZUZCGGDGDWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13BrCl3NO3/c24-17-10-12(25)9-16(22(17)29)23(30)28-13-5-7-21(19(27)11-13)31-20-8-6-18(26)14-3-1-2-4-15(14)20/h1-11,29H,(H,28,30).
What are the key properties of 3-bromo-5-chloro-N-[3-chloro-4-(4-chloronaphthalen-1-yl)oxyphenyl]-2-hydroxybenzamide?
3-bromo-5-chloro-N-[3-chloro-4-(4-chloronaphthalen-1-yl)oxyphenyl]-2-hydroxybenzamide has a molecular weight of 537.62 g/mol, XLogP of 8.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-[3-chloro-4-(4-chloronaphthalen-1-yl)oxyphenyl]-2-hydroxybenzamide is sourced from PubChem (CID 3555435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).