N-(4-chlorophenyl)-6-hydroxynaphthalene-2-carboxamide

C17H12ClNO2 — CID 118728724

IUPACN-(4-chlorophenyl)-6-hydroxynaphthalene-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1ccc2cc(O)ccc2c1
InChIInChI=1S/C17H12ClNO2/c18-14-4-6-15(7-5-14)19-17(21)13-2-1-12-10-16(20)8-3-11(12)9-13/h1-10,20H,(H,19,21)
InChIKeyOZPQQUXGDQRORQ-UHFFFAOYSA-N
MW297.74 g/mol
LogP4.45
Rot. Bonds2

About N-(4-chlorophenyl)-6-hydroxynaphthalene-2-carboxamide

N-(4-chlorophenyl)-6-hydroxynaphthalene-2-carboxamide (PubChem CID 118728724) has the molecular formula C17H12ClNO2 and a molecular weight of 297.74 g/mol. Its IUPAC name is N-(4-chlorophenyl)-6-hydroxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-6-hydroxynaphthalene-2-carboxamide
PubChem CID118728724
Molecular FormulaC17H12ClNO2
Molecular Weight297.74 g/mol
Exact Mass297.06
IUPAC NameN-(4-chlorophenyl)-6-hydroxynaphthalene-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1ccc2cc(O)ccc2c1
InChIInChI=1S/C17H12ClNO2/c18-14-4-6-15(7-5-14)19-17(21)13-2-1-12-10-16(20)8-3-11(12)9-13/h1-10,20H,(H,19,21)
InChIKeyOZPQQUXGDQRORQ-UHFFFAOYSA-N
XLogP4.45
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.74
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-6-hydroxynaphthalene-2-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-6-hydroxynaphthalene-2-carboxamide (CID 118728724) is N-(4-chlorophenyl)-6-hydroxynaphthalene-2-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-6-hydroxynaphthalene-2-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-6-hydroxynaphthalene-2-carboxamide is O=C(Nc1ccc(Cl)cc1)c1ccc2cc(O)ccc2c1.
What is the InChIKey of N-(4-chlorophenyl)-6-hydroxynaphthalene-2-carboxamide?
The InChIKey is OZPQQUXGDQRORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClNO2/c18-14-4-6-15(7-5-14)19-17(21)13-2-1-12-10-16(20)8-3-11(12)9-13/h1-10,20H,(H,19,21).
What are the key properties of N-(4-chlorophenyl)-6-hydroxynaphthalene-2-carboxamide?
N-(4-chlorophenyl)-6-hydroxynaphthalene-2-carboxamide has a molecular weight of 297.74 g/mol, XLogP of 4.45, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-6-hydroxynaphthalene-2-carboxamide is sourced from PubChem (CID 118728724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).