2-bromo-N-(7-hydroxynaphthalen-1-yl)-5-phenylbenzamide

C23H16BrNO2 — CID 162689492

IUPAC2-bromo-N-(7-hydroxynaphthalen-1-yl)-5-phenylbenzamide
SMILESO=C(Nc1cccc2ccc(O)cc12)c1cc(-c2ccccc2)ccc1Br
InChIInChI=1S/C23H16BrNO2/c24-21-12-10-17(15-5-2-1-3-6-15)13-20(21)23(27)25-22-8-4-7-16-9-11-18(26)14-19(16)22/h1-14,26H,(H,25,27)
InChIKeyFLXWEWCCUFQFET-UHFFFAOYSA-N
MW418.29 g/mol
LogP6.23
Rot. Bonds3

About 2-bromo-N-(7-hydroxynaphthalen-1-yl)-5-phenylbenzamide

2-bromo-N-(7-hydroxynaphthalen-1-yl)-5-phenylbenzamide (PubChem CID 162689492) has the molecular formula C23H16BrNO2 and a molecular weight of 418.29 g/mol. Its IUPAC name is 2-bromo-N-(7-hydroxynaphthalen-1-yl)-5-phenylbenzamide.

Molecular Properties

Compound Name2-bromo-N-(7-hydroxynaphthalen-1-yl)-5-phenylbenzamide
PubChem CID162689492
Molecular FormulaC23H16BrNO2
Molecular Weight418.29 g/mol
Exact Mass417.04
IUPAC Name2-bromo-N-(7-hydroxynaphthalen-1-yl)-5-phenylbenzamide
SMILESO=C(Nc1cccc2ccc(O)cc12)c1cc(-c2ccccc2)ccc1Br
InChIInChI=1S/C23H16BrNO2/c24-21-12-10-17(15-5-2-1-3-6-15)13-20(21)23(27)25-22-8-4-7-16-9-11-18(26)14-19(16)22/h1-14,26H,(H,25,27)
InChIKeyFLXWEWCCUFQFET-UHFFFAOYSA-N
XLogP6.23
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.29
LogP ≤ 56.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-hydroxy-N-(7-hydroxynaphthalen-1-yl)naphthalene-2-carboxamide
CID 21402830
3-hydroxy-N-[7-[3-[(2-hydroxybenzoyl)amino]phenyl]naphthalen-1-yl]naphthalene-2-carboxamide
CID 134171199
1-(7-hydroxynaphthalen-1-yl)-3-naphthalen-2-ylurea
CID 90803525
1-(2-bromo-5-phenylphenyl)butan-1-one
CID 83988643
2-bromo-5-chloro-N-isoquinolin-8-ylbenzamide
CID 103747527
N-(7-hydroxynaphthalen-1-yl)-2-methylprop-2-enamide;yttrium
CID 59524572
2-[(2-bromo-5-fluorobenzoyl)amino]benzoic acid
CID 16773060
2-amino-N-(7-hydroxynaphthalen-1-yl)propanamide
CID 18475864
1-(7-hydroxynaphthalen-1-yl)-3-(3-methylphenyl)urea
CID 54581579
1-(7-hydroxynaphthalen-1-yl)-3-(4-phenoxyphenyl)urea
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2-(naphthalen-1-ylcarbamoyl)benzoic acid
CID 67617466
2,5-dibromo-N-(2-bromophenyl)benzamide
CID 57379653

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(7-hydroxynaphthalen-1-yl)-5-phenylbenzamide?
The IUPAC name of 2-bromo-N-(7-hydroxynaphthalen-1-yl)-5-phenylbenzamide (CID 162689492) is 2-bromo-N-(7-hydroxynaphthalen-1-yl)-5-phenylbenzamide.
What is the SMILES notation for 2-bromo-N-(7-hydroxynaphthalen-1-yl)-5-phenylbenzamide?
The canonical SMILES for 2-bromo-N-(7-hydroxynaphthalen-1-yl)-5-phenylbenzamide is O=C(Nc1cccc2ccc(O)cc12)c1cc(-c2ccccc2)ccc1Br.
What is the InChIKey of 2-bromo-N-(7-hydroxynaphthalen-1-yl)-5-phenylbenzamide?
The InChIKey is FLXWEWCCUFQFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16BrNO2/c24-21-12-10-17(15-5-2-1-3-6-15)13-20(21)23(27)25-22-8-4-7-16-9-11-18(26)14-19(16)22/h1-14,26H,(H,25,27).
What are the key properties of 2-bromo-N-(7-hydroxynaphthalen-1-yl)-5-phenylbenzamide?
2-bromo-N-(7-hydroxynaphthalen-1-yl)-5-phenylbenzamide has a molecular weight of 418.29 g/mol, XLogP of 6.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(7-hydroxynaphthalen-1-yl)-5-phenylbenzamide is sourced from PubChem (CID 162689492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).