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

C20H13FN2O2 — CID 3378266

IUPACN-(2-fluorophenyl)-3-iminobenzo[f]chromene-2-carboxamide
SMILES[H]/N=c1\oc2ccc3ccccc3c2cc1C(=O)Nc1ccccc1F
InChIInChI=1S/C20H13FN2O2/c21-16-7-3-4-8-17(16)23-20(24)15-11-14-13-6-2-1-5-12(13)9-10-18(14)25-19(15)22/h1-11,22H,(H,23,24)/b22-19-
InChIKeyBPENKDSHPBUBIH-QOCHGBHMSA-N
MW332.33 g/mol
LogP4.46
Rot. Bonds2

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

N-(2-fluorophenyl)-3-iminobenzo[f]chromene-2-carboxamide (PubChem CID 3378266) has the molecular formula C20H13FN2O2 and a molecular weight of 332.33 g/mol. Its IUPAC name is N-(2-fluorophenyl)-3-iminobenzo[f]chromene-2-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-3-iminobenzo[f]chromene-2-carboxamide
PubChem CID3378266
Molecular FormulaC20H13FN2O2
Molecular Weight332.33 g/mol
Exact Mass332.10
IUPAC NameN-(2-fluorophenyl)-3-iminobenzo[f]chromene-2-carboxamide
SMILES[H]/N=c1\oc2ccc3ccccc3c2cc1C(=O)Nc1ccccc1F
InChIInChI=1S/C20H13FN2O2/c21-16-7-3-4-8-17(16)23-20(24)15-11-14-13-6-2-1-5-12(13)9-10-18(14)25-19(15)22/h1-11,22H,(H,23,24)/b22-19-
InChIKeyBPENKDSHPBUBIH-QOCHGBHMSA-N
XLogP4.46
TPSA66.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(2-fluorophenyl)-3-iminobenzo[f]chromene-2-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-3-iminobenzo[f]chromene-2-carboxamide (CID 3378266) is N-(2-fluorophenyl)-3-iminobenzo[f]chromene-2-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-3-iminobenzo[f]chromene-2-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-3-iminobenzo[f]chromene-2-carboxamide is [H]/N=c1\oc2ccc3ccccc3c2cc1C(=O)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-3-iminobenzo[f]chromene-2-carboxamide?
The InChIKey is BPENKDSHPBUBIH-QOCHGBHMSA-N. The full InChI is InChI=1S/C20H13FN2O2/c21-16-7-3-4-8-17(16)23-20(24)15-11-14-13-6-2-1-5-12(13)9-10-18(14)25-19(15)22/h1-11,22H,(H,23,24)/b22-19-.
What are the key properties of N-(2-fluorophenyl)-3-iminobenzo[f]chromene-2-carboxamide?
N-(2-fluorophenyl)-3-iminobenzo[f]chromene-2-carboxamide has a molecular weight of 332.33 g/mol, XLogP of 4.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-3-iminobenzo[f]chromene-2-carboxamide is sourced from PubChem (CID 3378266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).