(3-carbamoyl-2-oxochromen-7-yl) 4-phenylbenzoate

C23H15NO5 — CID 19185997

IUPAC(3-carbamoyl-2-oxochromen-7-yl) 4-phenylbenzoate
SMILESNC(=O)c1cc2ccc(OC(=O)c3ccc(-c4ccccc4)cc3)cc2oc1=O
InChIInChI=1S/C23H15NO5/c24-21(25)19-12-17-10-11-18(13-20(17)29-23(19)27)28-22(26)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-13H,(H2,24,25)
InChIKeyQZSFDXHANWIDAN-UHFFFAOYSA-N
MW385.38 g/mol
LogP3.78
Rot. Bonds4

About (3-carbamoyl-2-oxochromen-7-yl) 4-phenylbenzoate

(3-carbamoyl-2-oxochromen-7-yl) 4-phenylbenzoate (PubChem CID 19185997) has the molecular formula C23H15NO5 and a molecular weight of 385.38 g/mol. Its IUPAC name is (3-carbamoyl-2-oxochromen-7-yl) 4-phenylbenzoate.

Molecular Properties

Compound Name(3-carbamoyl-2-oxochromen-7-yl) 4-phenylbenzoate
PubChem CID19185997
Molecular FormulaC23H15NO5
Molecular Weight385.38 g/mol
Exact Mass385.10
IUPAC Name(3-carbamoyl-2-oxochromen-7-yl) 4-phenylbenzoate
SMILESNC(=O)c1cc2ccc(OC(=O)c3ccc(-c4ccccc4)cc3)cc2oc1=O
InChIInChI=1S/C23H15NO5/c24-21(25)19-12-17-10-11-18(13-20(17)29-23(19)27)28-22(26)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-13H,(H2,24,25)
InChIKeyQZSFDXHANWIDAN-UHFFFAOYSA-N
XLogP3.78
TPSA99.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.38
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(3-carbamoyl-2-oxochromen-7-yl) 4-bromobenzoate
CID 19185849
7-(4-fluorobenzoyl)oxy-2-oxochromene-3-carboxylic acid
CID 170530389
(3-carbamoyl-2-oxochromen-7-yl) 2-phenoxyacetate
CID 19186694
[3-(ethylcarbamoyl)-2-oxochromen-7-yl] benzoate
CID 19185797
[3-(cyclohexylcarbamoyl)-2-oxochromen-7-yl] 4-(2-oxo-2-phenylacetyl)benzoate
CID 19186075
[2-oxo-3-(propylcarbamoyl)chromen-7-yl] benzoate
CID 19185805
7-(4-fluorobenzoyl)oxy-2-oxochromene-3-carboxylate
CID 170530388
[3-(2-methoxyethylcarbamoyl)-2-oxochromen-7-yl] benzoate
CID 19185803
ethyl 2-oxo-7-[2-(4-phenylphenoxy)acetyl]oxychromene-3-carboxylate
CID 19180001
ethyl 7-(3,4-dimethoxybenzoyl)oxy-2-oxochromene-3-carboxylate
CID 19181559
(3-carbamoyl-2-oxochromen-7-yl) 2-(2-ethoxyphenoxy)acetate
CID 19186836
ethyl 7-(1-benzofuran-2-carbonyloxy)-2-oxochromene-3-carboxylate
CID 19189332

Frequently Asked Questions

What is the IUPAC name of (3-carbamoyl-2-oxochromen-7-yl) 4-phenylbenzoate?
The IUPAC name of (3-carbamoyl-2-oxochromen-7-yl) 4-phenylbenzoate (CID 19185997) is (3-carbamoyl-2-oxochromen-7-yl) 4-phenylbenzoate.
What is the SMILES notation for (3-carbamoyl-2-oxochromen-7-yl) 4-phenylbenzoate?
The canonical SMILES for (3-carbamoyl-2-oxochromen-7-yl) 4-phenylbenzoate is NC(=O)c1cc2ccc(OC(=O)c3ccc(-c4ccccc4)cc3)cc2oc1=O.
What is the InChIKey of (3-carbamoyl-2-oxochromen-7-yl) 4-phenylbenzoate?
The InChIKey is QZSFDXHANWIDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15NO5/c24-21(25)19-12-17-10-11-18(13-20(17)29-23(19)27)28-22(26)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-13H,(H2,24,25).
What are the key properties of (3-carbamoyl-2-oxochromen-7-yl) 4-phenylbenzoate?
(3-carbamoyl-2-oxochromen-7-yl) 4-phenylbenzoate has a molecular weight of 385.38 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-carbamoyl-2-oxochromen-7-yl) 4-phenylbenzoate is sourced from PubChem (CID 19185997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).