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

C20H12F2N2O — CID 155530200

IUPAC2-amino-4-(3,5-difluorophenyl)-4H-benzo[h]chromene-3-carbonitrile
SMILESN#CC1=C(N)Oc2c(ccc3ccccc23)C1c1cc(F)cc(F)c1
InChIInChI=1S/C20H12F2N2O/c21-13-7-12(8-14(22)9-13)18-16-6-5-11-3-1-2-4-15(11)19(16)25-20(24)17(18)10-23/h1-9,18H,24H2
InChIKeyNORBLXFFJZHFSZ-UHFFFAOYSA-N
MW334.33 g/mol
LogP4.34
Rot. Bonds1

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

2-amino-4-(3,5-difluorophenyl)-4H-benzo[h]chromene-3-carbonitrile (PubChem CID 155530200) has the molecular formula C20H12F2N2O and a molecular weight of 334.33 g/mol. Its IUPAC name is 2-amino-4-(3,5-difluorophenyl)-4H-benzo[h]chromene-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(3,5-difluorophenyl)-4H-benzo[h]chromene-3-carbonitrile
PubChem CID155530200
Molecular FormulaC20H12F2N2O
Molecular Weight334.33 g/mol
Exact Mass334.09
IUPAC Name2-amino-4-(3,5-difluorophenyl)-4H-benzo[h]chromene-3-carbonitrile
SMILESN#CC1=C(N)Oc2c(ccc3ccccc23)C1c1cc(F)cc(F)c1
InChIInChI=1S/C20H12F2N2O/c21-13-7-12(8-14(22)9-13)18-16-6-5-11-3-1-2-4-15(11)19(16)25-20(24)17(18)10-23/h1-9,18H,24H2
InChIKeyNORBLXFFJZHFSZ-UHFFFAOYSA-N
XLogP4.34
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3,5-difluorophenyl)-4H-benzo[h]chromene-3-carbonitrile?
The IUPAC name of 2-amino-4-(3,5-difluorophenyl)-4H-benzo[h]chromene-3-carbonitrile (CID 155530200) is 2-amino-4-(3,5-difluorophenyl)-4H-benzo[h]chromene-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(3,5-difluorophenyl)-4H-benzo[h]chromene-3-carbonitrile?
The canonical SMILES for 2-amino-4-(3,5-difluorophenyl)-4H-benzo[h]chromene-3-carbonitrile is N#CC1=C(N)Oc2c(ccc3ccccc23)C1c1cc(F)cc(F)c1.
What is the InChIKey of 2-amino-4-(3,5-difluorophenyl)-4H-benzo[h]chromene-3-carbonitrile?
The InChIKey is NORBLXFFJZHFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F2N2O/c21-13-7-12(8-14(22)9-13)18-16-6-5-11-3-1-2-4-15(11)19(16)25-20(24)17(18)10-23/h1-9,18H,24H2.
What are the key properties of 2-amino-4-(3,5-difluorophenyl)-4H-benzo[h]chromene-3-carbonitrile?
2-amino-4-(3,5-difluorophenyl)-4H-benzo[h]chromene-3-carbonitrile has a molecular weight of 334.33 g/mol, XLogP of 4.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3,5-difluorophenyl)-4H-benzo[h]chromene-3-carbonitrile is sourced from PubChem (CID 155530200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).