N-[(1R)-1-(2-chlorophenyl)-2-cyano-1H-benzo[f]chromen-3-yl]acetamide

C22H15ClN2O2 — CID 51852484

IUPACN-[(1R)-1-(2-chlorophenyl)-2-cyano-1H-benzo[f]chromen-3-yl]acetamide
SMILESCC(=O)NC1=C(C#N)[C@H](c2ccccc2Cl)c2c(ccc3ccccc23)O1
InChIInChI=1S/C22H15ClN2O2/c1-13(26)25-22-17(12-24)20(16-8-4-5-9-18(16)23)21-15-7-3-2-6-14(15)10-11-19(21)27-22/h2-11,20H,1H3,(H,25,26)/t20-/m0/s1
InChIKeyTXXCNOQYNLEMIZ-FQEVSTJZSA-N
MW374.83 g/mol
LogP4.89
Rot. Bonds2

About N-[(1R)-1-(2-chlorophenyl)-2-cyano-1H-benzo[f]chromen-3-yl]acetamide

N-[(1R)-1-(2-chlorophenyl)-2-cyano-1H-benzo[f]chromen-3-yl]acetamide (PubChem CID 51852484) has the molecular formula C22H15ClN2O2 and a molecular weight of 374.83 g/mol. Its IUPAC name is N-[(1R)-1-(2-chlorophenyl)-2-cyano-1H-benzo[f]chromen-3-yl]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(2-chlorophenyl)-2-cyano-1H-benzo[f]chromen-3-yl]acetamide
PubChem CID51852484
Molecular FormulaC22H15ClN2O2
Molecular Weight374.83 g/mol
Exact Mass374.08
IUPAC NameN-[(1R)-1-(2-chlorophenyl)-2-cyano-1H-benzo[f]chromen-3-yl]acetamide
SMILESCC(=O)NC1=C(C#N)[C@H](c2ccccc2Cl)c2c(ccc3ccccc23)O1
InChIInChI=1S/C22H15ClN2O2/c1-13(26)25-22-17(12-24)20(16-8-4-5-9-18(16)23)21-15-7-3-2-6-14(15)10-11-19(21)27-22/h2-11,20H,1H3,(H,25,26)/t20-/m0/s1
InChIKeyTXXCNOQYNLEMIZ-FQEVSTJZSA-N
XLogP4.89
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.83
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-3-amino-1-(2-chlorophenyl)-1H-benzo[f]chromene-2-carbonitrile
CID 675919
1-(2-chlorophenyl)-3-[(3-oxocyclohexen-1-yl)amino]-1H-benzo[f]chromene-2-carbonitrile
CID 139218106
N-(2-cyano-1-phenyl-1H-benzo[f]chromen-3-yl)benzamide
CID 44821171
1-(2-chlorophenyl)-2-methylidene-1H-benzo[e][1]benzofuran
CID 132583807
(1S)-3-amino-1-naphthalen-1-yl-1H-benzo[f]chromene-2-carbonitrile
CID 689158
ethyl (1S)-3-amino-1-(2-chlorophenyl)-1H-benzo[f]chromene-2-carboxylate
CID 7039551
(1S)-3-amino-1-(2-methoxyphenyl)-1H-benzo[f]chromene-2-carbonitrile
CID 968492
(1S)-3-amino-1-(4-chlorophenyl)-1H-benzo[f]chromene-2-carbonitrile
CID 818621
(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
CID 996629
(4R)-5-acetyl-4-(2-chlorophenyl)-2-[(2-chlorophenyl)methylsulfanyl]-6-methyl-1,4-dihydropyridine-3-carbonitrile
CID 51459628
(4S)-5-acetyl-4-(2-chlorophenyl)-6-methyl-2-sulfanyl-1,4-dihydropyridine-3-carbonitrile
CID 1388320

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-chlorophenyl)-2-cyano-1H-benzo[f]chromen-3-yl]acetamide?
The IUPAC name of N-[(1R)-1-(2-chlorophenyl)-2-cyano-1H-benzo[f]chromen-3-yl]acetamide (CID 51852484) is N-[(1R)-1-(2-chlorophenyl)-2-cyano-1H-benzo[f]chromen-3-yl]acetamide.
What is the SMILES notation for N-[(1R)-1-(2-chlorophenyl)-2-cyano-1H-benzo[f]chromen-3-yl]acetamide?
The canonical SMILES for N-[(1R)-1-(2-chlorophenyl)-2-cyano-1H-benzo[f]chromen-3-yl]acetamide is CC(=O)NC1=C(C#N)[C@H](c2ccccc2Cl)c2c(ccc3ccccc23)O1.
What is the InChIKey of N-[(1R)-1-(2-chlorophenyl)-2-cyano-1H-benzo[f]chromen-3-yl]acetamide?
The InChIKey is TXXCNOQYNLEMIZ-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H15ClN2O2/c1-13(26)25-22-17(12-24)20(16-8-4-5-9-18(16)23)21-15-7-3-2-6-14(15)10-11-19(21)27-22/h2-11,20H,1H3,(H,25,26)/t20-/m0/s1.
What are the key properties of N-[(1R)-1-(2-chlorophenyl)-2-cyano-1H-benzo[f]chromen-3-yl]acetamide?
N-[(1R)-1-(2-chlorophenyl)-2-cyano-1H-benzo[f]chromen-3-yl]acetamide has a molecular weight of 374.83 g/mol, XLogP of 4.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-chlorophenyl)-2-cyano-1H-benzo[f]chromen-3-yl]acetamide is sourced from PubChem (CID 51852484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).