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

C20H13ClN2O — CID 675919

IUPAC(1R)-3-amino-1-(2-chlorophenyl)-1H-benzo[f]chromene-2-carbonitrile
SMILESN#CC1=C(N)Oc2ccc3ccccc3c2[C@H]1c1ccccc1Cl
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/t18-/m0/s1
InChIKeyQQQCVNJLQSGZGT-SFHVURJKSA-N
MW332.79 g/mol
LogP4.71
Rot. Bonds1

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

(1R)-3-amino-1-(2-chlorophenyl)-1H-benzo[f]chromene-2-carbonitrile (PubChem CID 675919) has the molecular formula C20H13ClN2O and a molecular weight of 332.79 g/mol. Its IUPAC name is (1R)-3-amino-1-(2-chlorophenyl)-1H-benzo[f]chromene-2-carbonitrile.

Molecular Properties

Compound Name(1R)-3-amino-1-(2-chlorophenyl)-1H-benzo[f]chromene-2-carbonitrile
PubChem CID675919
Molecular FormulaC20H13ClN2O
Molecular Weight332.79 g/mol
Exact Mass332.07
IUPAC Name(1R)-3-amino-1-(2-chlorophenyl)-1H-benzo[f]chromene-2-carbonitrile
SMILESN#CC1=C(N)Oc2ccc3ccccc3c2[C@H]1c1ccccc1Cl
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/t18-/m0/s1
InChIKeyQQQCVNJLQSGZGT-SFHVURJKSA-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

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(1S)-3-amino-1-(2-methoxyphenyl)-1H-benzo[f]chromene-2-carbonitrile
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N-[(1R)-1-(2-chlorophenyl)-2-cyano-1H-benzo[f]chromen-3-yl]acetamide
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(1R)-3-amino-1-(2,3-dimethoxyphenyl)-1H-benzo[f]chromene-2-carbonitrile
CID 8613806
(1R)-3-amino-1-(2-chloro-7-methylquinolin-3-yl)-1H-benzo[f]chromene-2-carbonitrile
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(1S)-3-amino-1-thiophen-2-yl-1H-benzo[f]chromene-2-carbonitrile
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1-(2-chlorophenyl)-2-methylidene-1H-benzo[e][1]benzofuran
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3-amino-1-(1,3-benzodioxol-5-yl)-1H-benzo[f]chromene-2-carbonitrile
CID 4632257
(1S)-3-amino-1-(3-fluorophenyl)-1H-benzo[f]chromene-2-carbonitrile
CID 689413
3-amino-1-(3-fluorophenyl)-1H-benzo[f]chromene-2-carbonitrile
CID 613563
3-amino-1-pyridin-3-yl-1H-benzo[f]chromene-2-carbonitrile
CID 2839492

Frequently Asked Questions

What is the IUPAC name of (1R)-3-amino-1-(2-chlorophenyl)-1H-benzo[f]chromene-2-carbonitrile?
The IUPAC name of (1R)-3-amino-1-(2-chlorophenyl)-1H-benzo[f]chromene-2-carbonitrile (CID 675919) is (1R)-3-amino-1-(2-chlorophenyl)-1H-benzo[f]chromene-2-carbonitrile.
What is the SMILES notation for (1R)-3-amino-1-(2-chlorophenyl)-1H-benzo[f]chromene-2-carbonitrile?
The canonical SMILES for (1R)-3-amino-1-(2-chlorophenyl)-1H-benzo[f]chromene-2-carbonitrile is N#CC1=C(N)Oc2ccc3ccccc3c2[C@H]1c1ccccc1Cl.
What is the InChIKey of (1R)-3-amino-1-(2-chlorophenyl)-1H-benzo[f]chromene-2-carbonitrile?
The InChIKey is QQQCVNJLQSGZGT-SFHVURJKSA-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/t18-/m0/s1.
What are the key properties of (1R)-3-amino-1-(2-chlorophenyl)-1H-benzo[f]chromene-2-carbonitrile?
(1R)-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 (1R)-3-amino-1-(2-chlorophenyl)-1H-benzo[f]chromene-2-carbonitrile is sourced from PubChem (CID 675919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).