2-naphthalen-1-ylperoxy-N-phenylbenzamide

C23H17NO3 — CID 57106650

IUPAC2-naphthalen-1-ylperoxy-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1ccccc1OOc1cccc2ccccc12
InChIInChI=1S/C23H17NO3/c25-23(24-18-11-2-1-3-12-18)20-14-6-7-15-22(20)27-26-21-16-8-10-17-9-4-5-13-19(17)21/h1-16H,(H,24,25)
InChIKeyYNNCYMZJDANGPP-UHFFFAOYSA-N
MW355.39 g/mol
LogP5.46
Rot. Bonds5

About 2-naphthalen-1-ylperoxy-N-phenylbenzamide

2-naphthalen-1-ylperoxy-N-phenylbenzamide (PubChem CID 57106650) has the molecular formula C23H17NO3 and a molecular weight of 355.39 g/mol. Its IUPAC name is 2-naphthalen-1-ylperoxy-N-phenylbenzamide.

Molecular Properties

Compound Name2-naphthalen-1-ylperoxy-N-phenylbenzamide
PubChem CID57106650
Molecular FormulaC23H17NO3
Molecular Weight355.39 g/mol
Exact Mass355.12
IUPAC Name2-naphthalen-1-ylperoxy-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1ccccc1OOc1cccc2ccccc12
InChIInChI=1S/C23H17NO3/c25-23(24-18-11-2-1-3-12-18)20-14-6-7-15-22(20)27-26-21-16-8-10-17-9-4-5-13-19(17)21/h1-16H,(H,24,25)
InChIKeyYNNCYMZJDANGPP-UHFFFAOYSA-N
XLogP5.46
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.39
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

2-[(4-naphthalen-1-yloxyphenyl)carbamoyl]benzoic acid
CID 1216754
tris[2-(phenylcarbamoyl)phenyl] phosphate
CID 121416140
2-phenoxy-N-phenylbenzamide
CID 3402306
N-(4-iodophenyl)naphthalene-1-carboxamide
CID 1019200
N-[4-(2-phenylethenyl)phenyl]naphthalene-1-carboxamide
CID 23853473
N-(6-anilino-3-pyridinyl)naphthalene-1-carboxamide
CID 110178232
N-(4-phenylmethoxyphenyl)naphthalene-1-carboxamide
CID 1336313
2-(hydroxymethyl)-N-phenylbenzamide
CID 14198283
2-ethoxy-N-[4-[(2-ethoxybenzoyl)amino]phenyl]benzamide
CID 1011206
2-hydroxy-N-phenylbenzamide
CID 157209959
2-[(3-methylphenyl)methoxy]-N-phenylbenzamide
CID 18280998
dibenzyl [2-(phenylcarbamoyl)phenyl] phosphate
CID 121427861

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-ylperoxy-N-phenylbenzamide?
The IUPAC name of 2-naphthalen-1-ylperoxy-N-phenylbenzamide (CID 57106650) is 2-naphthalen-1-ylperoxy-N-phenylbenzamide.
What is the SMILES notation for 2-naphthalen-1-ylperoxy-N-phenylbenzamide?
The canonical SMILES for 2-naphthalen-1-ylperoxy-N-phenylbenzamide is O=C(Nc1ccccc1)c1ccccc1OOc1cccc2ccccc12.
What is the InChIKey of 2-naphthalen-1-ylperoxy-N-phenylbenzamide?
The InChIKey is YNNCYMZJDANGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NO3/c25-23(24-18-11-2-1-3-12-18)20-14-6-7-15-22(20)27-26-21-16-8-10-17-9-4-5-13-19(17)21/h1-16H,(H,24,25).
What are the key properties of 2-naphthalen-1-ylperoxy-N-phenylbenzamide?
2-naphthalen-1-ylperoxy-N-phenylbenzamide has a molecular weight of 355.39 g/mol, XLogP of 5.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-ylperoxy-N-phenylbenzamide is sourced from PubChem (CID 57106650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).