N-acetyl-3-(4-methylphenyl)iminobenzo[f]chromene-2-carboxamide

C23H18N2O3 — CID 1020917

IUPACN-acetyl-3-(4-methylphenyl)iminobenzo[f]chromene-2-carboxamide
SMILESCC(=O)NC(=O)c1cc2c(ccc3ccccc32)o/c1=N\c1ccc(C)cc1
InChIInChI=1S/C23H18N2O3/c1-14-7-10-17(11-8-14)25-23-20(22(27)24-15(2)26)13-19-18-6-4-3-5-16(18)9-12-21(19)28-23/h3-13H,1-2H3,(H,24,26,27)/b25-23-
InChIKeyISPYOFAAHRKAOO-BZZOAKBMSA-N
MW370.41 g/mol
LogP4.40
Rot. Bonds2

About N-acetyl-3-(4-methylphenyl)iminobenzo[f]chromene-2-carboxamide

N-acetyl-3-(4-methylphenyl)iminobenzo[f]chromene-2-carboxamide (PubChem CID 1020917) has the molecular formula C23H18N2O3 and a molecular weight of 370.41 g/mol. Its IUPAC name is N-acetyl-3-(4-methylphenyl)iminobenzo[f]chromene-2-carboxamide.

Molecular Properties

Compound NameN-acetyl-3-(4-methylphenyl)iminobenzo[f]chromene-2-carboxamide
PubChem CID1020917
Molecular FormulaC23H18N2O3
Molecular Weight370.41 g/mol
Exact Mass370.13
IUPAC NameN-acetyl-3-(4-methylphenyl)iminobenzo[f]chromene-2-carboxamide
SMILESCC(=O)NC(=O)c1cc2c(ccc3ccccc32)o/c1=N\c1ccc(C)cc1
InChIInChI=1S/C23H18N2O3/c1-14-7-10-17(11-8-14)25-23-20(22(27)24-15(2)26)13-19-18-6-4-3-5-16(18)9-12-21(19)28-23/h3-13H,1-2H3,(H,24,26,27)/b25-23-
InChIKeyISPYOFAAHRKAOO-BZZOAKBMSA-N
XLogP4.40
TPSA71.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-acetyl-3-(4-methylphenyl)iminobenzo[f]chromene-2-carboxamide?
The IUPAC name of N-acetyl-3-(4-methylphenyl)iminobenzo[f]chromene-2-carboxamide (CID 1020917) is N-acetyl-3-(4-methylphenyl)iminobenzo[f]chromene-2-carboxamide.
What is the SMILES notation for N-acetyl-3-(4-methylphenyl)iminobenzo[f]chromene-2-carboxamide?
The canonical SMILES for N-acetyl-3-(4-methylphenyl)iminobenzo[f]chromene-2-carboxamide is CC(=O)NC(=O)c1cc2c(ccc3ccccc32)o/c1=N\c1ccc(C)cc1.
What is the InChIKey of N-acetyl-3-(4-methylphenyl)iminobenzo[f]chromene-2-carboxamide?
The InChIKey is ISPYOFAAHRKAOO-BZZOAKBMSA-N. The full InChI is InChI=1S/C23H18N2O3/c1-14-7-10-17(11-8-14)25-23-20(22(27)24-15(2)26)13-19-18-6-4-3-5-16(18)9-12-21(19)28-23/h3-13H,1-2H3,(H,24,26,27)/b25-23-.
What are the key properties of N-acetyl-3-(4-methylphenyl)iminobenzo[f]chromene-2-carboxamide?
N-acetyl-3-(4-methylphenyl)iminobenzo[f]chromene-2-carboxamide has a molecular weight of 370.41 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-3-(4-methylphenyl)iminobenzo[f]chromene-2-carboxamide is sourced from PubChem (CID 1020917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).