N-(4-chlorophenyl)-2-hydroxynaphthalene-1-carboxamide

C17H12ClNO2 — CID 86575070

IUPACN-(4-chlorophenyl)-2-hydroxynaphthalene-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1c(O)ccc2ccccc12
InChIInChI=1S/C17H12ClNO2/c18-12-6-8-13(9-7-12)19-17(21)16-14-4-2-1-3-11(14)5-10-15(16)20/h1-10,20H,(H,19,21)
InChIKeyBMUUINYVYXSFPZ-UHFFFAOYSA-N
MW297.74 g/mol
LogP4.45
Rot. Bonds2

About N-(4-chlorophenyl)-2-hydroxynaphthalene-1-carboxamide

N-(4-chlorophenyl)-2-hydroxynaphthalene-1-carboxamide (PubChem CID 86575070) has the molecular formula C17H12ClNO2 and a molecular weight of 297.74 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-hydroxynaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-hydroxynaphthalene-1-carboxamide
PubChem CID86575070
Molecular FormulaC17H12ClNO2
Molecular Weight297.74 g/mol
Exact Mass297.06
IUPAC NameN-(4-chlorophenyl)-2-hydroxynaphthalene-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1c(O)ccc2ccccc12
InChIInChI=1S/C17H12ClNO2/c18-12-6-8-13(9-7-12)19-17(21)16-14-4-2-1-3-11(14)5-10-15(16)20/h1-10,20H,(H,19,21)
InChIKeyBMUUINYVYXSFPZ-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)-2-hydroxynaphthalene-1-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-2-hydroxynaphthalene-1-carboxamide (CID 86575070) is N-(4-chlorophenyl)-2-hydroxynaphthalene-1-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-hydroxynaphthalene-1-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-2-hydroxynaphthalene-1-carboxamide is O=C(Nc1ccc(Cl)cc1)c1c(O)ccc2ccccc12.
What is the InChIKey of N-(4-chlorophenyl)-2-hydroxynaphthalene-1-carboxamide?
The InChIKey is BMUUINYVYXSFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClNO2/c18-12-6-8-13(9-7-12)19-17(21)16-14-4-2-1-3-11(14)5-10-15(16)20/h1-10,20H,(H,19,21).
What are the key properties of N-(4-chlorophenyl)-2-hydroxynaphthalene-1-carboxamide?
N-(4-chlorophenyl)-2-hydroxynaphthalene-1-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)-2-hydroxynaphthalene-1-carboxamide is sourced from PubChem (CID 86575070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).