N-(4-chlorophenyl)-3-hydroxy-N-methylnaphthalene-2-carboxamide

C18H14ClNO2 — CID 58542477

IUPACN-(4-chlorophenyl)-3-hydroxy-N-methylnaphthalene-2-carboxamide
SMILESCN(C(=O)c1cc2ccccc2cc1O)c1ccc(Cl)cc1
InChIInChI=1S/C18H14ClNO2/c1-20(15-8-6-14(19)7-9-15)18(22)16-10-12-4-2-3-5-13(12)11-17(16)21/h2-11,21H,1H3
InChIKeyZOIKGBLQGDEXCI-UHFFFAOYSA-N
MW311.77 g/mol
LogP4.48
Rot. Bonds2

About N-(4-chlorophenyl)-3-hydroxy-N-methylnaphthalene-2-carboxamide

N-(4-chlorophenyl)-3-hydroxy-N-methylnaphthalene-2-carboxamide (PubChem CID 58542477) has the molecular formula C18H14ClNO2 and a molecular weight of 311.77 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-hydroxy-N-methylnaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-hydroxy-N-methylnaphthalene-2-carboxamide
PubChem CID58542477
Molecular FormulaC18H14ClNO2
Molecular Weight311.77 g/mol
Exact Mass311.07
IUPAC NameN-(4-chlorophenyl)-3-hydroxy-N-methylnaphthalene-2-carboxamide
SMILESCN(C(=O)c1cc2ccccc2cc1O)c1ccc(Cl)cc1
InChIInChI=1S/C18H14ClNO2/c1-20(15-8-6-14(19)7-9-15)18(22)16-10-12-4-2-3-5-13(12)11-17(16)21/h2-11,21H,1H3
InChIKeyZOIKGBLQGDEXCI-UHFFFAOYSA-N
XLogP4.48
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-hydroxy-N-methylnaphthalene-2-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-3-hydroxy-N-methylnaphthalene-2-carboxamide (CID 58542477) is N-(4-chlorophenyl)-3-hydroxy-N-methylnaphthalene-2-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-hydroxy-N-methylnaphthalene-2-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-3-hydroxy-N-methylnaphthalene-2-carboxamide is CN(C(=O)c1cc2ccccc2cc1O)c1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-3-hydroxy-N-methylnaphthalene-2-carboxamide?
The InChIKey is ZOIKGBLQGDEXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO2/c1-20(15-8-6-14(19)7-9-15)18(22)16-10-12-4-2-3-5-13(12)11-17(16)21/h2-11,21H,1H3.
What are the key properties of N-(4-chlorophenyl)-3-hydroxy-N-methylnaphthalene-2-carboxamide?
N-(4-chlorophenyl)-3-hydroxy-N-methylnaphthalene-2-carboxamide has a molecular weight of 311.77 g/mol, XLogP of 4.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-hydroxy-N-methylnaphthalene-2-carboxamide is sourced from PubChem (CID 58542477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).