3-imino-N-phenylbenzo[f]chromene-2-carboxamide

C20H14N2O2 — CID 747785

IUPAC3-imino-N-phenylbenzo[f]chromene-2-carboxamide
SMILES[H]/N=c1\oc2ccc3ccccc3c2cc1C(=O)Nc1ccccc1
InChIInChI=1S/C20H14N2O2/c21-19-17(20(23)22-14-7-2-1-3-8-14)12-16-15-9-5-4-6-13(15)10-11-18(16)24-19/h1-12,21H,(H,22,23)/b21-19-
InChIKeyXTKDUAIYNRDASR-VZCXRCSSSA-N
MW314.34 g/mol
LogP4.32
Rot. Bonds2

About 3-imino-N-phenylbenzo[f]chromene-2-carboxamide

3-imino-N-phenylbenzo[f]chromene-2-carboxamide (PubChem CID 747785) has the molecular formula C20H14N2O2 and a molecular weight of 314.34 g/mol. Its IUPAC name is 3-imino-N-phenylbenzo[f]chromene-2-carboxamide.

Molecular Properties

Compound Name3-imino-N-phenylbenzo[f]chromene-2-carboxamide
PubChem CID747785
Molecular FormulaC20H14N2O2
Molecular Weight314.34 g/mol
Exact Mass314.11
IUPAC Name3-imino-N-phenylbenzo[f]chromene-2-carboxamide
SMILES[H]/N=c1\oc2ccc3ccccc3c2cc1C(=O)Nc1ccccc1
InChIInChI=1S/C20H14N2O2/c21-19-17(20(23)22-14-7-2-1-3-8-14)12-16-15-9-5-4-6-13(15)10-11-18(16)24-19/h1-12,21H,(H,22,23)/b21-19-
InChIKeyXTKDUAIYNRDASR-VZCXRCSSSA-N
XLogP4.32
TPSA66.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-imino-N-phenylbenzo[f]chromene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-imino-N-phenylbenzo[f]chromene-2-carboxamide?
The IUPAC name of 3-imino-N-phenylbenzo[f]chromene-2-carboxamide (CID 747785) is 3-imino-N-phenylbenzo[f]chromene-2-carboxamide.
What is the SMILES notation for 3-imino-N-phenylbenzo[f]chromene-2-carboxamide?
The canonical SMILES for 3-imino-N-phenylbenzo[f]chromene-2-carboxamide is [H]/N=c1\oc2ccc3ccccc3c2cc1C(=O)Nc1ccccc1.
What is the InChIKey of 3-imino-N-phenylbenzo[f]chromene-2-carboxamide?
The InChIKey is XTKDUAIYNRDASR-VZCXRCSSSA-N. The full InChI is InChI=1S/C20H14N2O2/c21-19-17(20(23)22-14-7-2-1-3-8-14)12-16-15-9-5-4-6-13(15)10-11-18(16)24-19/h1-12,21H,(H,22,23)/b21-19-.
What are the key properties of 3-imino-N-phenylbenzo[f]chromene-2-carboxamide?
3-imino-N-phenylbenzo[f]chromene-2-carboxamide has a molecular weight of 314.34 g/mol, XLogP of 4.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imino-N-phenylbenzo[f]chromene-2-carboxamide is sourced from PubChem (CID 747785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).