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

C22H14F2N2O3 — CID 1020895

IUPACN-acetyl-3-(2,4-difluorophenyl)iminobenzo[f]chromene-2-carboxamide
SMILESCC(=O)NC(=O)c1cc2c(ccc3ccccc32)o/c1=N\c1ccc(F)cc1F
InChIInChI=1S/C22H14F2N2O3/c1-12(27)25-21(28)17-11-16-15-5-3-2-4-13(15)6-9-20(16)29-22(17)26-19-8-7-14(23)10-18(19)24/h2-11H,1H3,(H,25,27,28)/b26-22-
InChIKeyDTRQPFUFYCYCMO-ROMGYVFFSA-N
MW392.36 g/mol
LogP4.37
Rot. Bonds2

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

N-acetyl-3-(2,4-difluorophenyl)iminobenzo[f]chromene-2-carboxamide (PubChem CID 1020895) has the molecular formula C22H14F2N2O3 and a molecular weight of 392.36 g/mol. Its IUPAC name is N-acetyl-3-(2,4-difluorophenyl)iminobenzo[f]chromene-2-carboxamide.

Molecular Properties

Compound NameN-acetyl-3-(2,4-difluorophenyl)iminobenzo[f]chromene-2-carboxamide
PubChem CID1020895
Molecular FormulaC22H14F2N2O3
Molecular Weight392.36 g/mol
Exact Mass392.10
IUPAC NameN-acetyl-3-(2,4-difluorophenyl)iminobenzo[f]chromene-2-carboxamide
SMILESCC(=O)NC(=O)c1cc2c(ccc3ccccc32)o/c1=N\c1ccc(F)cc1F
InChIInChI=1S/C22H14F2N2O3/c1-12(27)25-21(28)17-11-16-15-5-3-2-4-13(15)6-9-20(16)29-22(17)26-19-8-7-14(23)10-18(19)24/h2-11H,1H3,(H,25,27,28)/b26-22-
InChIKeyDTRQPFUFYCYCMO-ROMGYVFFSA-N
XLogP4.37
TPSA71.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.36
LogP ≤ 54.37
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-(2,4-difluorophenyl)iminobenzo[f]chromene-2-carboxamide?
The IUPAC name of N-acetyl-3-(2,4-difluorophenyl)iminobenzo[f]chromene-2-carboxamide (CID 1020895) is N-acetyl-3-(2,4-difluorophenyl)iminobenzo[f]chromene-2-carboxamide.
What is the SMILES notation for N-acetyl-3-(2,4-difluorophenyl)iminobenzo[f]chromene-2-carboxamide?
The canonical SMILES for N-acetyl-3-(2,4-difluorophenyl)iminobenzo[f]chromene-2-carboxamide is CC(=O)NC(=O)c1cc2c(ccc3ccccc32)o/c1=N\c1ccc(F)cc1F.
What is the InChIKey of N-acetyl-3-(2,4-difluorophenyl)iminobenzo[f]chromene-2-carboxamide?
The InChIKey is DTRQPFUFYCYCMO-ROMGYVFFSA-N. The full InChI is InChI=1S/C22H14F2N2O3/c1-12(27)25-21(28)17-11-16-15-5-3-2-4-13(15)6-9-20(16)29-22(17)26-19-8-7-14(23)10-18(19)24/h2-11H,1H3,(H,25,27,28)/b26-22-.
What are the key properties of N-acetyl-3-(2,4-difluorophenyl)iminobenzo[f]chromene-2-carboxamide?
N-acetyl-3-(2,4-difluorophenyl)iminobenzo[f]chromene-2-carboxamide has a molecular weight of 392.36 g/mol, XLogP of 4.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-3-(2,4-difluorophenyl)iminobenzo[f]chromene-2-carboxamide is sourced from PubChem (CID 1020895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).