2-amino-4-(4-fluorophenyl)-5,6-dihydro-4H-benzo[h]chromene-3-carbonitrile

C20H15FN2O — CID 10567548

IUPAC2-amino-4-(4-fluorophenyl)-5,6-dihydro-4H-benzo[h]chromene-3-carbonitrile
SMILESN#CC1=C(N)OC2=C(CCc3ccccc32)C1c1ccc(F)cc1
InChIInChI=1S/C20H15FN2O/c21-14-8-5-13(6-9-14)18-16-10-7-12-3-1-2-4-15(12)19(16)24-20(23)17(18)11-22/h1-6,8-9,18H,7,10,23H2
InChIKeyBHCJDTXVFHJAJD-UHFFFAOYSA-N
MW318.35 g/mol
LogP3.99
Rot. Bonds1

About 2-amino-4-(4-fluorophenyl)-5,6-dihydro-4H-benzo[h]chromene-3-carbonitrile

2-amino-4-(4-fluorophenyl)-5,6-dihydro-4H-benzo[h]chromene-3-carbonitrile (PubChem CID 10567548) has the molecular formula C20H15FN2O and a molecular weight of 318.35 g/mol. Its IUPAC name is 2-amino-4-(4-fluorophenyl)-5,6-dihydro-4H-benzo[h]chromene-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(4-fluorophenyl)-5,6-dihydro-4H-benzo[h]chromene-3-carbonitrile
PubChem CID10567548
Molecular FormulaC20H15FN2O
Molecular Weight318.35 g/mol
Exact Mass318.12
IUPAC Name2-amino-4-(4-fluorophenyl)-5,6-dihydro-4H-benzo[h]chromene-3-carbonitrile
SMILESN#CC1=C(N)OC2=C(CCc3ccccc32)C1c1ccc(F)cc1
InChIInChI=1S/C20H15FN2O/c21-14-8-5-13(6-9-14)18-16-10-7-12-3-1-2-4-15(12)19(16)24-20(23)17(18)11-22/h1-6,8-9,18H,7,10,23H2
InChIKeyBHCJDTXVFHJAJD-UHFFFAOYSA-N
XLogP3.99
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-fluorophenyl)-5,6-dihydro-4H-benzo[h]chromene-3-carbonitrile?
The IUPAC name of 2-amino-4-(4-fluorophenyl)-5,6-dihydro-4H-benzo[h]chromene-3-carbonitrile (CID 10567548) is 2-amino-4-(4-fluorophenyl)-5,6-dihydro-4H-benzo[h]chromene-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(4-fluorophenyl)-5,6-dihydro-4H-benzo[h]chromene-3-carbonitrile?
The canonical SMILES for 2-amino-4-(4-fluorophenyl)-5,6-dihydro-4H-benzo[h]chromene-3-carbonitrile is N#CC1=C(N)OC2=C(CCc3ccccc32)C1c1ccc(F)cc1.
What is the InChIKey of 2-amino-4-(4-fluorophenyl)-5,6-dihydro-4H-benzo[h]chromene-3-carbonitrile?
The InChIKey is BHCJDTXVFHJAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2O/c21-14-8-5-13(6-9-14)18-16-10-7-12-3-1-2-4-15(12)19(16)24-20(23)17(18)11-22/h1-6,8-9,18H,7,10,23H2.
What are the key properties of 2-amino-4-(4-fluorophenyl)-5,6-dihydro-4H-benzo[h]chromene-3-carbonitrile?
2-amino-4-(4-fluorophenyl)-5,6-dihydro-4H-benzo[h]chromene-3-carbonitrile has a molecular weight of 318.35 g/mol, XLogP of 3.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-fluorophenyl)-5,6-dihydro-4H-benzo[h]chromene-3-carbonitrile is sourced from PubChem (CID 10567548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).