ethyl 3-(1-benzofuran-2-carbonylamino)-1-phenyl-1H-benzo[f]chromene-2-carboxylate

C31H23NO5 — CID 19167233

IUPACethyl 3-(1-benzofuran-2-carbonylamino)-1-phenyl-1H-benzo[f]chromene-2-carboxylate
SMILESCCOC(=O)C1=C(NC(=O)c2cc3ccccc3o2)Oc2ccc3ccccc3c2C1c1ccccc1
InChIInChI=1S/C31H23NO5/c1-2-35-31(34)28-26(20-11-4-3-5-12-20)27-22-14-8-6-10-19(22)16-17-24(27)37-30(28)32-29(33)25-18-21-13-7-9-15-23(21)36-25/h3-18,26H,2H2,1H3,(H,32,33)
InChIKeyJMJZAQZWABQVNM-UHFFFAOYSA-N
MW489.53 g/mol
LogP6.32
Rot. Bonds5

About ethyl 3-(1-benzofuran-2-carbonylamino)-1-phenyl-1H-benzo[f]chromene-2-carboxylate

ethyl 3-(1-benzofuran-2-carbonylamino)-1-phenyl-1H-benzo[f]chromene-2-carboxylate (PubChem CID 19167233) has the molecular formula C31H23NO5 and a molecular weight of 489.53 g/mol. Its IUPAC name is ethyl 3-(1-benzofuran-2-carbonylamino)-1-phenyl-1H-benzo[f]chromene-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-(1-benzofuran-2-carbonylamino)-1-phenyl-1H-benzo[f]chromene-2-carboxylate
PubChem CID19167233
Molecular FormulaC31H23NO5
Molecular Weight489.53 g/mol
Exact Mass489.16
IUPAC Nameethyl 3-(1-benzofuran-2-carbonylamino)-1-phenyl-1H-benzo[f]chromene-2-carboxylate
SMILESCCOC(=O)C1=C(NC(=O)c2cc3ccccc3o2)Oc2ccc3ccccc3c2C1c1ccccc1
InChIInChI=1S/C31H23NO5/c1-2-35-31(34)28-26(20-11-4-3-5-12-20)27-22-14-8-6-10-19(22)16-17-24(27)37-30(28)32-29(33)25-18-21-13-7-9-15-23(21)36-25/h3-18,26H,2H2,1H3,(H,32,33)
InChIKeyJMJZAQZWABQVNM-UHFFFAOYSA-N
XLogP6.32
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.53
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (1R)-3-amino-1-phenyl-1H-benzo[f]chromene-2-carboxylate
CID 917052
ethyl 1-phenyl-3-[[2-(4-phenylphenoxy)acetyl]amino]-1H-benzo[f]chromene-2-carboxylate
CID 19167485
ethyl 3-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-1-phenyl-1H-benzo[f]chromene-2-carboxylate
CID 19167244
ethyl 2-(1-benzofuran-2-carbonylamino)-1,3-thiazole-4-carboxylate
CID 2308234
N-(2-cyano-1-phenyl-1H-benzo[f]chromen-3-yl)benzamide
CID 44821171
ethyl 2-(1-benzofuran-2-carbonylamino)thiophene-3-carboxylate
CID 8718221
ethyl benzo[e][1]benzofuran-2-carboxylate
CID 738036
ethyl (1S)-3-amino-1-(2-chlorophenyl)-1H-benzo[f]chromene-2-carboxylate
CID 7039551
ethyl 2-[(5-chloro-1-benzofuran-2-carbonyl)amino]-5-methyl-4-phenylthiophene-3-carboxylate
CID 19241021
N-[2-(methylaminomethyl)phenyl]-1-benzofuran-2-carboxamide
CID 43600967
ethyl 5-(1-benzofuran-2-carbonylamino)-2-prop-2-enoxybenzoate
CID 13473060
N-(4,6-dimethylpyrimidin-2-yl)-1-benzofuran-2-carboxamide
CID 802234

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(1-benzofuran-2-carbonylamino)-1-phenyl-1H-benzo[f]chromene-2-carboxylate?
The IUPAC name of ethyl 3-(1-benzofuran-2-carbonylamino)-1-phenyl-1H-benzo[f]chromene-2-carboxylate (CID 19167233) is ethyl 3-(1-benzofuran-2-carbonylamino)-1-phenyl-1H-benzo[f]chromene-2-carboxylate.
What is the SMILES notation for ethyl 3-(1-benzofuran-2-carbonylamino)-1-phenyl-1H-benzo[f]chromene-2-carboxylate?
The canonical SMILES for ethyl 3-(1-benzofuran-2-carbonylamino)-1-phenyl-1H-benzo[f]chromene-2-carboxylate is CCOC(=O)C1=C(NC(=O)c2cc3ccccc3o2)Oc2ccc3ccccc3c2C1c1ccccc1.
What is the InChIKey of ethyl 3-(1-benzofuran-2-carbonylamino)-1-phenyl-1H-benzo[f]chromene-2-carboxylate?
The InChIKey is JMJZAQZWABQVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23NO5/c1-2-35-31(34)28-26(20-11-4-3-5-12-20)27-22-14-8-6-10-19(22)16-17-24(27)37-30(28)32-29(33)25-18-21-13-7-9-15-23(21)36-25/h3-18,26H,2H2,1H3,(H,32,33).
What are the key properties of ethyl 3-(1-benzofuran-2-carbonylamino)-1-phenyl-1H-benzo[f]chromene-2-carboxylate?
ethyl 3-(1-benzofuran-2-carbonylamino)-1-phenyl-1H-benzo[f]chromene-2-carboxylate has a molecular weight of 489.53 g/mol, XLogP of 6.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(1-benzofuran-2-carbonylamino)-1-phenyl-1H-benzo[f]chromene-2-carboxylate is sourced from PubChem (CID 19167233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).