4-[(4-acetamidophenyl)iminomethyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide

C26H21N3O3 — CID 135439750

IUPAC4-[(4-acetamidophenyl)iminomethyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide
SMILESCC(=O)Nc1ccc(/N=C/c2c(O)c(C(=O)Nc3ccccc3)cc3ccccc23)cc1
InChIInChI=1S/C26H21N3O3/c1-17(30)28-21-13-11-19(12-14-21)27-16-24-22-10-6-5-7-18(22)15-23(25(24)31)26(32)29-20-8-3-2-4-9-20/h2-16,31H,1H3,(H,28,30)(H,29,32)/b27-16+
InChIKeyMUWJDZHXKYTBCX-JVWAILMASA-N
MW423.47 g/mol
LogP5.51
Rot. Bonds5

About 4-[(4-acetamidophenyl)iminomethyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide

4-[(4-acetamidophenyl)iminomethyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide (PubChem CID 135439750) has the molecular formula C26H21N3O3 and a molecular weight of 423.47 g/mol. Its IUPAC name is 4-[(4-acetamidophenyl)iminomethyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide.

Molecular Properties

Compound Name4-[(4-acetamidophenyl)iminomethyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide
PubChem CID135439750
Molecular FormulaC26H21N3O3
Molecular Weight423.47 g/mol
Exact Mass423.16
IUPAC Name4-[(4-acetamidophenyl)iminomethyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide
SMILESCC(=O)Nc1ccc(/N=C/c2c(O)c(C(=O)Nc3ccccc3)cc3ccccc23)cc1
InChIInChI=1S/C26H21N3O3/c1-17(30)28-21-13-11-19(12-14-21)27-16-24-22-10-6-5-7-18(22)15-23(25(24)31)26(32)29-20-8-3-2-4-9-20/h2-16,31H,1H3,(H,28,30)(H,29,32)/b27-16+
InChIKeyMUWJDZHXKYTBCX-JVWAILMASA-N
XLogP5.51
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.47
LogP ≤ 55.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-acetamidophenyl)iminomethyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide?
The IUPAC name of 4-[(4-acetamidophenyl)iminomethyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide (CID 135439750) is 4-[(4-acetamidophenyl)iminomethyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide.
What is the SMILES notation for 4-[(4-acetamidophenyl)iminomethyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide?
The canonical SMILES for 4-[(4-acetamidophenyl)iminomethyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide is CC(=O)Nc1ccc(/N=C/c2c(O)c(C(=O)Nc3ccccc3)cc3ccccc23)cc1.
What is the InChIKey of 4-[(4-acetamidophenyl)iminomethyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide?
The InChIKey is MUWJDZHXKYTBCX-JVWAILMASA-N. The full InChI is InChI=1S/C26H21N3O3/c1-17(30)28-21-13-11-19(12-14-21)27-16-24-22-10-6-5-7-18(22)15-23(25(24)31)26(32)29-20-8-3-2-4-9-20/h2-16,31H,1H3,(H,28,30)(H,29,32)/b27-16+.
What are the key properties of 4-[(4-acetamidophenyl)iminomethyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide?
4-[(4-acetamidophenyl)iminomethyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide has a molecular weight of 423.47 g/mol, XLogP of 5.51, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-acetamidophenyl)iminomethyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide is sourced from PubChem (CID 135439750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).