[2-amino-3-cyano-4-(furan-2-yl)-4H-chromen-7-yl] 2-(2-fluorophenoxy)propanoate

C23H17FN2O5 — CID 19122507

IUPAC[2-amino-3-cyano-4-(furan-2-yl)-4H-chromen-7-yl] 2-(2-fluorophenoxy)propanoate
SMILESCC(Oc1ccccc1F)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)C2c1ccco1
InChIInChI=1S/C23H17FN2O5/c1-13(29-18-6-3-2-5-17(18)24)23(27)30-14-8-9-15-20(11-14)31-22(26)16(12-25)21(15)19-7-4-10-28-19/h2-11,13,21H,26H2,1H3
InChIKeyLACBAFILRQMJTM-UHFFFAOYSA-N
MW420.40 g/mol
LogP4.01
Rot. Bonds5

About [2-amino-3-cyano-4-(furan-2-yl)-4H-chromen-7-yl] 2-(2-fluorophenoxy)propanoate

[2-amino-3-cyano-4-(furan-2-yl)-4H-chromen-7-yl] 2-(2-fluorophenoxy)propanoate (PubChem CID 19122507) has the molecular formula C23H17FN2O5 and a molecular weight of 420.40 g/mol. Its IUPAC name is [2-amino-3-cyano-4-(furan-2-yl)-4H-chromen-7-yl] 2-(2-fluorophenoxy)propanoate.

Molecular Properties

Compound Name[2-amino-3-cyano-4-(furan-2-yl)-4H-chromen-7-yl] 2-(2-fluorophenoxy)propanoate
PubChem CID19122507
Molecular FormulaC23H17FN2O5
Molecular Weight420.40 g/mol
Exact Mass420.11
IUPAC Name[2-amino-3-cyano-4-(furan-2-yl)-4H-chromen-7-yl] 2-(2-fluorophenoxy)propanoate
SMILESCC(Oc1ccccc1F)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)C2c1ccco1
InChIInChI=1S/C23H17FN2O5/c1-13(29-18-6-3-2-5-17(18)24)23(27)30-14-8-9-15-20(11-14)31-22(26)16(12-25)21(15)19-7-4-10-28-19/h2-11,13,21H,26H2,1H3
InChIKeyLACBAFILRQMJTM-UHFFFAOYSA-N
XLogP4.01
TPSA107.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.40
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [2-amino-3-cyano-4-(furan-2-yl)-4H-chromen-7-yl] 2-(2-fluorophenoxy)propanoate with MolForge

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

Launch Full Analysis

Related Compounds

[2-amino-3-cyano-4-(3,4,5-trimethoxyphenyl)-4H-chromen-7-yl] 2-(2-fluorophenoxy)propanoate
CID 19123466
[2-amino-4-(2-butoxyphenyl)-3-cyano-4H-chromen-7-yl] 2-(2-fluorophenoxy)propanoate
CID 19124505
[2-amino-3-cyano-4-[3-[(2-fluorophenyl)methoxy]phenyl]-4H-chromen-7-yl] 2-(2-fluorophenoxy)propanoate
CID 19126742
[2-amino-3-cyano-4-[3-methoxy-4-(3-methylbutoxy)phenyl]-4H-chromen-7-yl] 2-(2-fluorophenoxy)propanoate
CID 19123386
[2-amino-3-cyano-4-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]-4H-chromen-7-yl] 2-(2-fluorophenoxy)propanoate
CID 19127462
[2-amino-3-cyano-4-(furan-2-yl)-4H-chromen-7-yl] 2-(2-nitrophenoxy)acetate
CID 19122479
[2-amino-4-(3-chlorophenyl)-3-cyano-4H-chromen-7-yl] 2-(4-fluorophenoxy)propanoate
CID 19121551
[2-amino-3-cyano-4-(3-methoxyphenyl)-4H-chromen-7-yl] 2-(4-fluorophenoxy)propanoate
CID 19120992
[2-amino-3-cyano-4-(furan-2-yl)-4H-chromen-7-yl] 3,6-dimethyl-1-benzofuran-2-carboxylate
CID 19128468
[2-amino-3-cyano-4-(furan-2-yl)-4H-chromen-7-yl] 2-(4-chloro-3-methylphenoxy)acetate
CID 19122513
[2-amino-3-cyano-4-(2,4-dichlorophenyl)-4H-chromen-7-yl] 2-(4-propan-2-ylphenoxy)propanoate
CID 19122208
[(4S)-2-amino-4-(2-chloro-6-fluorophenyl)-3-cyano-4H-chromen-7-yl] furan-2-carboxylate
CID 129365843

Frequently Asked Questions

What is the IUPAC name of [2-amino-3-cyano-4-(furan-2-yl)-4H-chromen-7-yl] 2-(2-fluorophenoxy)propanoate?
The IUPAC name of [2-amino-3-cyano-4-(furan-2-yl)-4H-chromen-7-yl] 2-(2-fluorophenoxy)propanoate (CID 19122507) is [2-amino-3-cyano-4-(furan-2-yl)-4H-chromen-7-yl] 2-(2-fluorophenoxy)propanoate.
What is the SMILES notation for [2-amino-3-cyano-4-(furan-2-yl)-4H-chromen-7-yl] 2-(2-fluorophenoxy)propanoate?
The canonical SMILES for [2-amino-3-cyano-4-(furan-2-yl)-4H-chromen-7-yl] 2-(2-fluorophenoxy)propanoate is CC(Oc1ccccc1F)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)C2c1ccco1.
What is the InChIKey of [2-amino-3-cyano-4-(furan-2-yl)-4H-chromen-7-yl] 2-(2-fluorophenoxy)propanoate?
The InChIKey is LACBAFILRQMJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN2O5/c1-13(29-18-6-3-2-5-17(18)24)23(27)30-14-8-9-15-20(11-14)31-22(26)16(12-25)21(15)19-7-4-10-28-19/h2-11,13,21H,26H2,1H3.
What are the key properties of [2-amino-3-cyano-4-(furan-2-yl)-4H-chromen-7-yl] 2-(2-fluorophenoxy)propanoate?
[2-amino-3-cyano-4-(furan-2-yl)-4H-chromen-7-yl] 2-(2-fluorophenoxy)propanoate has a molecular weight of 420.40 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-3-cyano-4-(furan-2-yl)-4H-chromen-7-yl] 2-(2-fluorophenoxy)propanoate is sourced from PubChem (CID 19122507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).