3-amino-1-(2-chlorophenyl)-1H-benzo[f]chromene-2-carbonitrile

C20H13ClN2O — CID 3121295

IUPAC3-amino-1-(2-chlorophenyl)-1H-benzo[f]chromene-2-carbonitrile
SMILESN#CC1=C(N)Oc2ccc3ccccc3c2C1c1ccccc1Cl
InChIInChI=1S/C20H13ClN2O/c21-16-8-4-3-7-14(16)18-15(11-22)20(23)24-17-10-9-12-5-1-2-6-13(12)19(17)18/h1-10,18H,23H2
InChIKeyQQQCVNJLQSGZGT-UHFFFAOYSA-N
MW332.79 g/mol
LogP4.71
Rot. Bonds1

About 3-amino-1-(2-chlorophenyl)-1H-benzo[f]chromene-2-carbonitrile

3-amino-1-(2-chlorophenyl)-1H-benzo[f]chromene-2-carbonitrile (PubChem CID 3121295) has the molecular formula C20H13ClN2O and a molecular weight of 332.79 g/mol. Its IUPAC name is 3-amino-1-(2-chlorophenyl)-1H-benzo[f]chromene-2-carbonitrile.

Molecular Properties

Compound Name3-amino-1-(2-chlorophenyl)-1H-benzo[f]chromene-2-carbonitrile
PubChem CID3121295
Molecular FormulaC20H13ClN2O
Molecular Weight332.79 g/mol
Exact Mass332.07
IUPAC Name3-amino-1-(2-chlorophenyl)-1H-benzo[f]chromene-2-carbonitrile
SMILESN#CC1=C(N)Oc2ccc3ccccc3c2C1c1ccccc1Cl
InChIInChI=1S/C20H13ClN2O/c21-16-8-4-3-7-14(16)18-15(11-22)20(23)24-17-10-9-12-5-1-2-6-13(12)19(17)18/h1-10,18H,23H2
InChIKeyQQQCVNJLQSGZGT-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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Related Compounds

2-amino-4-(3-methoxyphenyl)-4H-benzo(h)chromene-3-carbonitrile
CID 2840350
3-amino-1-(4-fluorophenyl)-1H-benzo[f]chromene-2-carbonitrile
CID 3980644
2-amino-4-(3-cyanophenyl)-4H-benzo[h]chromene-3-carbonitrile
CID 155537648
3-Amino-1-(3-fluorophenyl)-1H-benzo[f]chromene-2-carbonitrile
CID 613563
2-amino-4-(4-methylphenyl)-4H-benzo[h]chromene-3-carbonitrile
CID 3724391
2-amino-4-(4-methoxy-3-methylphenyl)-4H-benzo[h]chromene-3-carbonitrile
CID 3261465
2-Amino-4-(3,4,5-trifluoro-phenyl)-4H-benzo[h]chromene-3-carbonitrile
CID 69292048
2-amino-4-(4-methoxyphenyl)-4H-benzo(h)chromene-3-carbonitrile
CID 2807472
2-Amino-4-phenyl-4H-benzo[h]chromene-3-carbonitrile
CID 3121293
N-(2-cyano-1-phenyl-1H-benzo[f]chromen-3-yl)acetamide
CID 5123035
2-amino-4-(4-cyanophenyl)-4H-benzo[h]chromene-3-carbonitrile
CID 101864420
2-amino-6-chloro-4-(3-cyanophenyl)-4H-benzo[h]chromene-3-carbonitrile
CID 155511994

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-chlorophenyl)-1H-benzo[f]chromene-2-carbonitrile?
The IUPAC name of 3-amino-1-(2-chlorophenyl)-1H-benzo[f]chromene-2-carbonitrile (CID 3121295) is 3-amino-1-(2-chlorophenyl)-1H-benzo[f]chromene-2-carbonitrile.
What is the SMILES notation for 3-amino-1-(2-chlorophenyl)-1H-benzo[f]chromene-2-carbonitrile?
The canonical SMILES for 3-amino-1-(2-chlorophenyl)-1H-benzo[f]chromene-2-carbonitrile is N#CC1=C(N)Oc2ccc3ccccc3c2C1c1ccccc1Cl.
What is the InChIKey of 3-amino-1-(2-chlorophenyl)-1H-benzo[f]chromene-2-carbonitrile?
The InChIKey is QQQCVNJLQSGZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClN2O/c21-16-8-4-3-7-14(16)18-15(11-22)20(23)24-17-10-9-12-5-1-2-6-13(12)19(17)18/h1-10,18H,23H2.
What are the key properties of 3-amino-1-(2-chlorophenyl)-1H-benzo[f]chromene-2-carbonitrile?
3-amino-1-(2-chlorophenyl)-1H-benzo[f]chromene-2-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 3-amino-1-(2-chlorophenyl)-1H-benzo[f]chromene-2-carbonitrile is sourced from PubChem (CID 3121295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).