N-[(4-chlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]benzamide

C24H18ClNO2 — CID 2876910

IUPACN-[(4-chlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]benzamide
SMILESO=C(NC(c1ccc(Cl)cc1)c1c(O)ccc2ccccc12)c1ccccc1
InChIInChI=1S/C24H18ClNO2/c25-19-13-10-17(11-14-19)23(26-24(28)18-7-2-1-3-8-18)22-20-9-5-4-6-16(20)12-15-21(22)27/h1-15,23,27H,(H,26,28)
InChIKeyUXSDXPQORHVTIJ-UHFFFAOYSA-N
MW387.87 g/mol
LogP5.72
Rot. Bonds4

About N-[(4-chlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]benzamide

N-[(4-chlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]benzamide (PubChem CID 2876910) has the molecular formula C24H18ClNO2 and a molecular weight of 387.87 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]benzamide
PubChem CID2876910
Molecular FormulaC24H18ClNO2
Molecular Weight387.87 g/mol
Exact Mass387.10
IUPAC NameN-[(4-chlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]benzamide
SMILESO=C(NC(c1ccc(Cl)cc1)c1c(O)ccc2ccccc12)c1ccccc1
InChIInChI=1S/C24H18ClNO2/c25-19-13-10-17(11-14-19)23(26-24(28)18-7-2-1-3-8-18)22-20-9-5-4-6-16(20)12-15-21(22)27/h1-15,23,27H,(H,26,28)
InChIKeyUXSDXPQORHVTIJ-UHFFFAOYSA-N
XLogP5.72
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.87
LogP ≤ 55.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]benzamide?
The IUPAC name of N-[(4-chlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]benzamide (CID 2876910) is N-[(4-chlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]benzamide.
What is the SMILES notation for N-[(4-chlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]benzamide?
The canonical SMILES for N-[(4-chlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]benzamide is O=C(NC(c1ccc(Cl)cc1)c1c(O)ccc2ccccc12)c1ccccc1.
What is the InChIKey of N-[(4-chlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]benzamide?
The InChIKey is UXSDXPQORHVTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClNO2/c25-19-13-10-17(11-14-19)23(26-24(28)18-7-2-1-3-8-18)22-20-9-5-4-6-16(20)12-15-21(22)27/h1-15,23,27H,(H,26,28).
What are the key properties of N-[(4-chlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]benzamide?
N-[(4-chlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]benzamide has a molecular weight of 387.87 g/mol, XLogP of 5.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]benzamide is sourced from PubChem (CID 2876910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).