3-hydroxy-N-(8-hydroxynaphthalen-1-yl)naphthalene-2-carboxamide

C21H15NO3 — CID 21402819

IUPAC3-hydroxy-N-(8-hydroxynaphthalen-1-yl)naphthalene-2-carboxamide
SMILESO=C(Nc1cccc2cccc(O)c12)c1cc2ccccc2cc1O
InChIInChI=1S/C21H15NO3/c23-18-10-4-8-13-7-3-9-17(20(13)18)22-21(25)16-11-14-5-1-2-6-15(14)12-19(16)24/h1-12,23-24H,(H,22,25)
InChIKeyJGRFBTVTKMMCJK-UHFFFAOYSA-N
MW329.36 g/mol
LogP4.66
Rot. Bonds2

About 3-hydroxy-N-(8-hydroxynaphthalen-1-yl)naphthalene-2-carboxamide

3-hydroxy-N-(8-hydroxynaphthalen-1-yl)naphthalene-2-carboxamide (PubChem CID 21402819) has the molecular formula C21H15NO3 and a molecular weight of 329.36 g/mol. Its IUPAC name is 3-hydroxy-N-(8-hydroxynaphthalen-1-yl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-(8-hydroxynaphthalen-1-yl)naphthalene-2-carboxamide
PubChem CID21402819
Molecular FormulaC21H15NO3
Molecular Weight329.36 g/mol
Exact Mass329.11
IUPAC Name3-hydroxy-N-(8-hydroxynaphthalen-1-yl)naphthalene-2-carboxamide
SMILESO=C(Nc1cccc2cccc(O)c12)c1cc2ccccc2cc1O
InChIInChI=1S/C21H15NO3/c23-18-10-4-8-13-7-3-9-17(20(13)18)22-21(25)16-11-14-5-1-2-6-15(14)12-19(16)24/h1-12,23-24H,(H,22,25)
InChIKeyJGRFBTVTKMMCJK-UHFFFAOYSA-N
XLogP4.66
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 54.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-N-(7-hydroxynaphthalen-1-yl)naphthalene-2-carboxamide
CID 21402830
N-[2,5-dichloro-4-[(3-hydroxynaphthalene-2-carbonyl)amino]phenyl]-3-hydroxynaphthalene-2-carboxamide
CID 19850925
sodium 3-hydroxy-N-phenylnaphthalene-2-carboxamide
CID 21118656
4-[2-[(3-hydroxynaphthalene-2-carbonyl)amino]phenyl]butanoic acid
CID 174840347
N-[2-chloro-4-[[3-chloro-4-[(3-hydroxynaphthalene-2-carbonyl)amino]phenyl]methyl]phenyl]-3-hydroxynaphthalene-2-carboxamide
CID 70561560
3-hydroxy-N-[7-[3-[(2-hydroxybenzoyl)amino]phenyl]naphthalen-1-yl]naphthalene-2-carboxamide
CID 134171199
N-(6-chloro-2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-hydroxynaphthalene-2-carboxamide
CID 14344833
N-(2,3-dimethoxyphenyl)-3-hydroxynaphthalene-2-carboxamide;3-hydroxy-N-(2-phenoxyphenyl)naphthalene-2-carboxamide
CID 158102212
7-N-benzyl-3-hydroxy-2-N-naphthalen-1-ylnaphthalene-2,7-dicarboxamide
CID 22081973
[2-[(3-hydroxynaphthalene-2-carbonyl)amino]phenyl] 3-bromobenzenesulfonate
CID 21402836
3-hydroxy-N-(4-methyl-2-nitrophenyl)naphthalene-2-carboxamide
CID 598391
N-(5-tert-butyl-2-methoxyphenyl)-3-hydroxynaphthalene-2-carboxamide
CID 20604815

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(8-hydroxynaphthalen-1-yl)naphthalene-2-carboxamide?
The IUPAC name of 3-hydroxy-N-(8-hydroxynaphthalen-1-yl)naphthalene-2-carboxamide (CID 21402819) is 3-hydroxy-N-(8-hydroxynaphthalen-1-yl)naphthalene-2-carboxamide.
What is the SMILES notation for 3-hydroxy-N-(8-hydroxynaphthalen-1-yl)naphthalene-2-carboxamide?
The canonical SMILES for 3-hydroxy-N-(8-hydroxynaphthalen-1-yl)naphthalene-2-carboxamide is O=C(Nc1cccc2cccc(O)c12)c1cc2ccccc2cc1O.
What is the InChIKey of 3-hydroxy-N-(8-hydroxynaphthalen-1-yl)naphthalene-2-carboxamide?
The InChIKey is JGRFBTVTKMMCJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO3/c23-18-10-4-8-13-7-3-9-17(20(13)18)22-21(25)16-11-14-5-1-2-6-15(14)12-19(16)24/h1-12,23-24H,(H,22,25).
What are the key properties of 3-hydroxy-N-(8-hydroxynaphthalen-1-yl)naphthalene-2-carboxamide?
3-hydroxy-N-(8-hydroxynaphthalen-1-yl)naphthalene-2-carboxamide has a molecular weight of 329.36 g/mol, XLogP of 4.66, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(8-hydroxynaphthalen-1-yl)naphthalene-2-carboxamide is sourced from PubChem (CID 21402819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).