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

C22H15FN2O3 — CID 3263568

IUPACN-acetyl-3-(4-fluorophenyl)iminobenzo[f]chromene-2-carboxamide
SMILESCC(=O)NC(=O)c1cc2c(ccc3ccccc32)o/c1=N\c1ccc(F)cc1
InChIInChI=1S/C22H15FN2O3/c1-13(26)24-21(27)19-12-18-17-5-3-2-4-14(17)6-11-20(18)28-22(19)25-16-9-7-15(23)8-10-16/h2-12H,1H3,(H,24,26,27)/b25-22-
InChIKeyDNYUVZJNJRTEEM-LVWGJNHUSA-N
MW374.37 g/mol
LogP4.23
Rot. Bonds2

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

N-acetyl-3-(4-fluorophenyl)iminobenzo[f]chromene-2-carboxamide (PubChem CID 3263568) has the molecular formula C22H15FN2O3 and a molecular weight of 374.37 g/mol. Its IUPAC name is N-acetyl-3-(4-fluorophenyl)iminobenzo[f]chromene-2-carboxamide.

Molecular Properties

Compound NameN-acetyl-3-(4-fluorophenyl)iminobenzo[f]chromene-2-carboxamide
PubChem CID3263568
Molecular FormulaC22H15FN2O3
Molecular Weight374.37 g/mol
Exact Mass374.11
IUPAC NameN-acetyl-3-(4-fluorophenyl)iminobenzo[f]chromene-2-carboxamide
SMILESCC(=O)NC(=O)c1cc2c(ccc3ccccc32)o/c1=N\c1ccc(F)cc1
InChIInChI=1S/C22H15FN2O3/c1-13(26)24-21(27)19-12-18-17-5-3-2-4-14(17)6-11-20(18)28-22(19)25-16-9-7-15(23)8-10-16/h2-12H,1H3,(H,24,26,27)/b25-22-
InChIKeyDNYUVZJNJRTEEM-LVWGJNHUSA-N
XLogP4.23
TPSA71.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 54.23
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-fluorophenyl)iminobenzo[f]chromene-2-carboxamide?
The IUPAC name of N-acetyl-3-(4-fluorophenyl)iminobenzo[f]chromene-2-carboxamide (CID 3263568) is N-acetyl-3-(4-fluorophenyl)iminobenzo[f]chromene-2-carboxamide.
What is the SMILES notation for N-acetyl-3-(4-fluorophenyl)iminobenzo[f]chromene-2-carboxamide?
The canonical SMILES for N-acetyl-3-(4-fluorophenyl)iminobenzo[f]chromene-2-carboxamide is CC(=O)NC(=O)c1cc2c(ccc3ccccc32)o/c1=N\c1ccc(F)cc1.
What is the InChIKey of N-acetyl-3-(4-fluorophenyl)iminobenzo[f]chromene-2-carboxamide?
The InChIKey is DNYUVZJNJRTEEM-LVWGJNHUSA-N. The full InChI is InChI=1S/C22H15FN2O3/c1-13(26)24-21(27)19-12-18-17-5-3-2-4-14(17)6-11-20(18)28-22(19)25-16-9-7-15(23)8-10-16/h2-12H,1H3,(H,24,26,27)/b25-22-.
What are the key properties of N-acetyl-3-(4-fluorophenyl)iminobenzo[f]chromene-2-carboxamide?
N-acetyl-3-(4-fluorophenyl)iminobenzo[f]chromene-2-carboxamide has a molecular weight of 374.37 g/mol, XLogP of 4.23, 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-fluorophenyl)iminobenzo[f]chromene-2-carboxamide is sourced from PubChem (CID 3263568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).