2-hydroxy-N,6-bis(3-hydroxyphenyl)naphthalene-1-carboxamide

C23H17NO4 — CID 24950386

IUPAC2-hydroxy-N,6-bis(3-hydroxyphenyl)naphthalene-1-carboxamide
SMILESO=C(Nc1cccc(O)c1)c1c(O)ccc2cc(-c3cccc(O)c3)ccc12
InChIInChI=1S/C23H17NO4/c25-18-5-1-3-14(12-18)15-7-9-20-16(11-15)8-10-21(27)22(20)23(28)24-17-4-2-6-19(26)13-17/h1-13,25-27H,(H,24,28)
InChIKeyJFOMBBOIWCMHKV-UHFFFAOYSA-N
MW371.39 g/mol
LogP4.88
Rot. Bonds3

About 2-hydroxy-N,6-bis(3-hydroxyphenyl)naphthalene-1-carboxamide

2-hydroxy-N,6-bis(3-hydroxyphenyl)naphthalene-1-carboxamide (PubChem CID 24950386) has the molecular formula C23H17NO4 and a molecular weight of 371.39 g/mol. Its IUPAC name is 2-hydroxy-N,6-bis(3-hydroxyphenyl)naphthalene-1-carboxamide.

Molecular Properties

Compound Name2-hydroxy-N,6-bis(3-hydroxyphenyl)naphthalene-1-carboxamide
PubChem CID24950386
Molecular FormulaC23H17NO4
Molecular Weight371.39 g/mol
Exact Mass371.12
IUPAC Name2-hydroxy-N,6-bis(3-hydroxyphenyl)naphthalene-1-carboxamide
SMILESO=C(Nc1cccc(O)c1)c1c(O)ccc2cc(-c3cccc(O)c3)ccc12
InChIInChI=1S/C23H17NO4/c25-18-5-1-3-14(12-18)15-7-9-20-16(11-15)8-10-21(27)22(20)23(28)24-17-4-2-6-19(26)13-17/h1-13,25-27H,(H,24,28)
InChIKeyJFOMBBOIWCMHKV-UHFFFAOYSA-N
XLogP4.88
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 54.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N,6-bis(3-hydroxyphenyl)naphthalene-1-carboxamide?
The IUPAC name of 2-hydroxy-N,6-bis(3-hydroxyphenyl)naphthalene-1-carboxamide (CID 24950386) is 2-hydroxy-N,6-bis(3-hydroxyphenyl)naphthalene-1-carboxamide.
What is the SMILES notation for 2-hydroxy-N,6-bis(3-hydroxyphenyl)naphthalene-1-carboxamide?
The canonical SMILES for 2-hydroxy-N,6-bis(3-hydroxyphenyl)naphthalene-1-carboxamide is O=C(Nc1cccc(O)c1)c1c(O)ccc2cc(-c3cccc(O)c3)ccc12.
What is the InChIKey of 2-hydroxy-N,6-bis(3-hydroxyphenyl)naphthalene-1-carboxamide?
The InChIKey is JFOMBBOIWCMHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NO4/c25-18-5-1-3-14(12-18)15-7-9-20-16(11-15)8-10-21(27)22(20)23(28)24-17-4-2-6-19(26)13-17/h1-13,25-27H,(H,24,28).
What are the key properties of 2-hydroxy-N,6-bis(3-hydroxyphenyl)naphthalene-1-carboxamide?
2-hydroxy-N,6-bis(3-hydroxyphenyl)naphthalene-1-carboxamide has a molecular weight of 371.39 g/mol, XLogP of 4.88, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N,6-bis(3-hydroxyphenyl)naphthalene-1-carboxamide is sourced from PubChem (CID 24950386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).