N-[6-bromo-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]benzamide

C27H18BrNO2 — CID 156768686

IUPACN-[6-bromo-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]benzamide
SMILESO=C(Nc1ccc2cc(Br)ccc2c1-c1c(O)ccc2ccccc12)c1ccccc1
InChIInChI=1S/C27H18BrNO2/c28-20-12-13-22-19(16-20)10-14-23(29-27(31)18-7-2-1-3-8-18)25(22)26-21-9-5-4-6-17(21)11-15-24(26)30/h1-16,30H,(H,29,31)
InChIKeyKPLFPTCIERAQLR-UHFFFAOYSA-N
MW468.35 g/mol
LogP7.38
Rot. Bonds3

About N-[6-bromo-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]benzamide

N-[6-bromo-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]benzamide (PubChem CID 156768686) has the molecular formula C27H18BrNO2 and a molecular weight of 468.35 g/mol. Its IUPAC name is N-[6-bromo-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]benzamide.

Molecular Properties

Compound NameN-[6-bromo-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]benzamide
PubChem CID156768686
Molecular FormulaC27H18BrNO2
Molecular Weight468.35 g/mol
Exact Mass467.05
IUPAC NameN-[6-bromo-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]benzamide
SMILESO=C(Nc1ccc2cc(Br)ccc2c1-c1c(O)ccc2ccccc12)c1ccccc1
InChIInChI=1S/C27H18BrNO2/c28-20-12-13-22-19(16-20)10-14-23(29-27(31)18-7-2-1-3-8-18)25(22)26-21-9-5-4-6-17(21)11-15-24(26)30/h1-16,30H,(H,29,31)
InChIKeyKPLFPTCIERAQLR-UHFFFAOYSA-N
XLogP7.38
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.35
LogP ≤ 57.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-2-iodophenyl)benzamide
CID 3321693
1-N,3-N,5-N-tris[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]benzene-1,3,5-tricarboxamide
CID 24866234
N-[(5-bromo-2-hydroxyphenyl)-(2-hydroxynaphthalen-1-yl)methyl]benzamide
CID 122396722
N-[5-bromo-2-(methylamino)phenyl]benzamide
CID 175288167
N-(1-benzamidoanthracen-2-yl)benzamide
CID 87154988
N-(2-benzoyl-4-bromophenyl)naphthalene-2-carboxamide
CID 23941186
5-bromo-2-(naphthalene-1-carbonylamino)benzoic acid
CID 10090515
3-bromo-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
CID 101402327
1-(2,3-dibromonaphthalen-1-yl)naphthalen-2-ol
CID 67157613
6-bromo-1-(6-bromo-2-hydroxynaphthalen-1-yl)naphthalen-2-ol;6-bromo-1-(6-bromo-2-methylnaphthalen-1-yl)-2-methylnaphthalene
CID 158239097
7-bromo-1-(7-bromo-2-hydroxynaphthalen-1-yl)naphthalen-2-ol
CID 11189978
4-[(4-bromobenzoyl)amino]-N-naphthalen-1-ylbenzamide
CID 1215843

Frequently Asked Questions

What is the IUPAC name of N-[6-bromo-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]benzamide?
The IUPAC name of N-[6-bromo-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]benzamide (CID 156768686) is N-[6-bromo-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]benzamide.
What is the SMILES notation for N-[6-bromo-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]benzamide?
The canonical SMILES for N-[6-bromo-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]benzamide is O=C(Nc1ccc2cc(Br)ccc2c1-c1c(O)ccc2ccccc12)c1ccccc1.
What is the InChIKey of N-[6-bromo-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]benzamide?
The InChIKey is KPLFPTCIERAQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18BrNO2/c28-20-12-13-22-19(16-20)10-14-23(29-27(31)18-7-2-1-3-8-18)25(22)26-21-9-5-4-6-17(21)11-15-24(26)30/h1-16,30H,(H,29,31).
What are the key properties of N-[6-bromo-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]benzamide?
N-[6-bromo-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]benzamide has a molecular weight of 468.35 g/mol, XLogP of 7.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-bromo-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]benzamide is sourced from PubChem (CID 156768686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).