N-(2-cyanophenyl)-2-(2-oxo-4-phenylchromen-7-yl)oxyacetamide

C24H16N2O4 — CID 2496630

IUPACN-(2-cyanophenyl)-2-(2-oxo-4-phenylchromen-7-yl)oxyacetamide
SMILESN#Cc1ccccc1NC(=O)COc1ccc2c(-c3ccccc3)cc(=O)oc2c1
InChIInChI=1S/C24H16N2O4/c25-14-17-8-4-5-9-21(17)26-23(27)15-29-18-10-11-19-20(16-6-2-1-3-7-16)13-24(28)30-22(19)12-18/h1-13H,15H2,(H,26,27)
InChIKeySWCSVECSPQELLU-UHFFFAOYSA-N
MW396.40 g/mol
LogP4.35
Rot. Bonds5

About N-(2-cyanophenyl)-2-(2-oxo-4-phenylchromen-7-yl)oxyacetamide

N-(2-cyanophenyl)-2-(2-oxo-4-phenylchromen-7-yl)oxyacetamide (PubChem CID 2496630) has the molecular formula C24H16N2O4 and a molecular weight of 396.40 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-(2-oxo-4-phenylchromen-7-yl)oxyacetamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-(2-oxo-4-phenylchromen-7-yl)oxyacetamide
PubChem CID2496630
Molecular FormulaC24H16N2O4
Molecular Weight396.40 g/mol
Exact Mass396.11
IUPAC NameN-(2-cyanophenyl)-2-(2-oxo-4-phenylchromen-7-yl)oxyacetamide
SMILESN#Cc1ccccc1NC(=O)COc1ccc2c(-c3ccccc3)cc(=O)oc2c1
InChIInChI=1S/C24H16N2O4/c25-14-17-8-4-5-9-21(17)26-23(27)15-29-18-10-11-19-20(16-6-2-1-3-7-16)13-24(28)30-22(19)12-18/h1-13H,15H2,(H,26,27)
InChIKeySWCSVECSPQELLU-UHFFFAOYSA-N
XLogP4.35
TPSA92.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.40
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-oxo-4-propan-2-ylchromen-7-yl)oxy-N-(2-phenylphenyl)acetamide
CID 7700599
(2R)-2-[[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]amino]propanoic acid
CID 5428805
N-methyl-2-[[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]amino]acetamide
CID 8806134
N-(1,3-dioxoisoindol-2-yl)-2-(2-oxo-4-phenylchromen-7-yl)oxyacetamide
CID 155543658
ethyl N-[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]carbamate
CID 7996380
(2S)-2-[[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]amino]-3-phenylpropanoic acid
CID 1194304
N-(4-cyanophenyl)-2-[4-(4-nitrophenyl)-2-oxochromen-7-yl]oxyacetamide
CID 35775041
N-(2-methyl-6-propan-2-ylphenyl)-2-(2-oxo-4-phenylchromen-7-yl)oxyacetamide
CID 2185509
7-[(2E)-2-hydroxyimino-2-phenylethoxy]-4-phenylchromen-2-one
CID 6371350
N-(butylcarbamoyl)-2-(2-oxo-4-phenylchromen-7-yl)oxyacetamide
CID 8636135
2-(2-oxo-4-phenylchromen-7-yl)oxy-N-[(2R)-2-phenylpropyl]acetamide
CID 7996357
2-(2-oxo-4-phenylchromen-7-yl)oxy-N-[(2S)-2-phenylpropyl]acetamide
CID 7996359

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-(2-oxo-4-phenylchromen-7-yl)oxyacetamide?
The IUPAC name of N-(2-cyanophenyl)-2-(2-oxo-4-phenylchromen-7-yl)oxyacetamide (CID 2496630) is N-(2-cyanophenyl)-2-(2-oxo-4-phenylchromen-7-yl)oxyacetamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-(2-oxo-4-phenylchromen-7-yl)oxyacetamide?
The canonical SMILES for N-(2-cyanophenyl)-2-(2-oxo-4-phenylchromen-7-yl)oxyacetamide is N#Cc1ccccc1NC(=O)COc1ccc2c(-c3ccccc3)cc(=O)oc2c1.
What is the InChIKey of N-(2-cyanophenyl)-2-(2-oxo-4-phenylchromen-7-yl)oxyacetamide?
The InChIKey is SWCSVECSPQELLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N2O4/c25-14-17-8-4-5-9-21(17)26-23(27)15-29-18-10-11-19-20(16-6-2-1-3-7-16)13-24(28)30-22(19)12-18/h1-13H,15H2,(H,26,27).
What are the key properties of N-(2-cyanophenyl)-2-(2-oxo-4-phenylchromen-7-yl)oxyacetamide?
N-(2-cyanophenyl)-2-(2-oxo-4-phenylchromen-7-yl)oxyacetamide has a molecular weight of 396.40 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-(2-oxo-4-phenylchromen-7-yl)oxyacetamide is sourced from PubChem (CID 2496630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).