2-amino-4-(2-chlorophenyl)-4H-benzo[h]chromene-3-carbonitrile

C20H13ClN2O — CID 2839931

IUPAC2-amino-4-(2-chlorophenyl)-4H-benzo[h]chromene-3-carbonitrile
SMILESN#CC1=C(N)Oc2c(ccc3ccccc23)C1c1ccccc1Cl
InChIInChI=1S/C20H13ClN2O/c21-17-8-4-3-7-14(17)18-15-10-9-12-5-1-2-6-13(12)19(15)24-20(23)16(18)11-22/h1-10,18H,23H2
InChIKeyRVEHYVPPUHFIOY-UHFFFAOYSA-N
MW332.79 g/mol
LogP4.71
Rot. Bonds1

About 2-amino-4-(2-chlorophenyl)-4H-benzo[h]chromene-3-carbonitrile

2-amino-4-(2-chlorophenyl)-4H-benzo[h]chromene-3-carbonitrile (PubChem CID 2839931) has the molecular formula C20H13ClN2O and a molecular weight of 332.79 g/mol. Its IUPAC name is 2-amino-4-(2-chlorophenyl)-4H-benzo[h]chromene-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(2-chlorophenyl)-4H-benzo[h]chromene-3-carbonitrile
PubChem CID2839931
Molecular FormulaC20H13ClN2O
Molecular Weight332.79 g/mol
Exact Mass332.07
IUPAC Name2-amino-4-(2-chlorophenyl)-4H-benzo[h]chromene-3-carbonitrile
SMILESN#CC1=C(N)Oc2c(ccc3ccccc23)C1c1ccccc1Cl
InChIInChI=1S/C20H13ClN2O/c21-17-8-4-3-7-14(17)18-15-10-9-12-5-1-2-6-13(12)19(15)24-20(23)16(18)11-22/h1-10,18H,23H2
InChIKeyRVEHYVPPUHFIOY-UHFFFAOYSA-N
XLogP4.71
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-chlorophenyl)-4H-benzo[h]chromene-3-carbonitrile?
The IUPAC name of 2-amino-4-(2-chlorophenyl)-4H-benzo[h]chromene-3-carbonitrile (CID 2839931) is 2-amino-4-(2-chlorophenyl)-4H-benzo[h]chromene-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(2-chlorophenyl)-4H-benzo[h]chromene-3-carbonitrile?
The canonical SMILES for 2-amino-4-(2-chlorophenyl)-4H-benzo[h]chromene-3-carbonitrile is N#CC1=C(N)Oc2c(ccc3ccccc23)C1c1ccccc1Cl.
What is the InChIKey of 2-amino-4-(2-chlorophenyl)-4H-benzo[h]chromene-3-carbonitrile?
The InChIKey is RVEHYVPPUHFIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClN2O/c21-17-8-4-3-7-14(17)18-15-10-9-12-5-1-2-6-13(12)19(15)24-20(23)16(18)11-22/h1-10,18H,23H2.
What are the key properties of 2-amino-4-(2-chlorophenyl)-4H-benzo[h]chromene-3-carbonitrile?
2-amino-4-(2-chlorophenyl)-4H-benzo[h]chromene-3-carbonitrile has a molecular weight of 332.79 g/mol, XLogP of 4.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-chlorophenyl)-4H-benzo[h]chromene-3-carbonitrile is sourced from PubChem (CID 2839931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).