N-(4-cyanophenyl)-2-[4-(4-nitrophenyl)-2-oxochromen-7-yl]oxyacetamide

C24H15N3O6 — CID 35775041

IUPACN-(4-cyanophenyl)-2-[4-(4-nitrophenyl)-2-oxochromen-7-yl]oxyacetamide
SMILESN#Cc1ccc(NC(=O)COc2ccc3c(-c4ccc([N+](=O)[O-])cc4)cc(=O)oc3c2)cc1
InChIInChI=1S/C24H15N3O6/c25-13-15-1-5-17(6-2-15)26-23(28)14-32-19-9-10-20-21(12-24(29)33-22(20)11-19)16-3-7-18(8-4-16)27(30)31/h1-12H,14H2,(H,26,28)
InChIKeyRVCIHNGQUVGMLY-UHFFFAOYSA-N
MW441.40 g/mol
LogP4.26
Rot. Bonds6

About N-(4-cyanophenyl)-2-[4-(4-nitrophenyl)-2-oxochromen-7-yl]oxyacetamide

N-(4-cyanophenyl)-2-[4-(4-nitrophenyl)-2-oxochromen-7-yl]oxyacetamide (PubChem CID 35775041) has the molecular formula C24H15N3O6 and a molecular weight of 441.40 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-[4-(4-nitrophenyl)-2-oxochromen-7-yl]oxyacetamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-[4-(4-nitrophenyl)-2-oxochromen-7-yl]oxyacetamide
PubChem CID35775041
Molecular FormulaC24H15N3O6
Molecular Weight441.40 g/mol
Exact Mass441.10
IUPAC NameN-(4-cyanophenyl)-2-[4-(4-nitrophenyl)-2-oxochromen-7-yl]oxyacetamide
SMILESN#Cc1ccc(NC(=O)COc2ccc3c(-c4ccc([N+](=O)[O-])cc4)cc(=O)oc3c2)cc1
InChIInChI=1S/C24H15N3O6/c25-13-15-1-5-17(6-2-15)26-23(28)14-32-19-9-10-20-21(12-24(29)33-22(20)11-19)16-3-7-18(8-4-16)27(30)31/h1-12H,14H2,(H,26,28)
InChIKeyRVCIHNGQUVGMLY-UHFFFAOYSA-N
XLogP4.26
TPSA135.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.40
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-cyanophenyl)-2-(2-oxo-4-phenylchromen-7-yl)oxyacetamide
CID 2496630
2-(3-ethyl-4-methyl-2-oxochromen-7-yl)oxy-N-(4-nitrophenyl)acetamide
CID 2924556
2-(4-nitrophenoxy)-N-(4-nitrophenyl)acetamide
CID 4501442
N-(4-cyanophenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 7966728
7-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-4-(4-nitrophenyl)chromen-2-one
CID 112786090
N-[3-chloro-2-(4-nitrophenyl)-5-oxopyrrolidin-1-yl]-2-(2-oxo-4-phenylchromen-7-yl)oxyacetamide
CID 25155511
N-[4-(cyanomethyl)phenyl]-2-(4-nitrophenoxy)acetamide
CID 674702
N-(4-iodophenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 1346536
N-(3-nitrophenyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 2705142
N-(2,6-dimethylphenyl)-2-[4-(4-methoxyphenyl)-2-oxochromen-7-yl]oxyacetamide
CID 1297755
N-[4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]propanamide
CID 17204846
N-(4-cyanophenyl)-2-[4-(methylamino)phenoxy]acetamide
CID 61027849

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-[4-(4-nitrophenyl)-2-oxochromen-7-yl]oxyacetamide?
The IUPAC name of N-(4-cyanophenyl)-2-[4-(4-nitrophenyl)-2-oxochromen-7-yl]oxyacetamide (CID 35775041) is N-(4-cyanophenyl)-2-[4-(4-nitrophenyl)-2-oxochromen-7-yl]oxyacetamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-[4-(4-nitrophenyl)-2-oxochromen-7-yl]oxyacetamide?
The canonical SMILES for N-(4-cyanophenyl)-2-[4-(4-nitrophenyl)-2-oxochromen-7-yl]oxyacetamide is N#Cc1ccc(NC(=O)COc2ccc3c(-c4ccc([N+](=O)[O-])cc4)cc(=O)oc3c2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-2-[4-(4-nitrophenyl)-2-oxochromen-7-yl]oxyacetamide?
The InChIKey is RVCIHNGQUVGMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15N3O6/c25-13-15-1-5-17(6-2-15)26-23(28)14-32-19-9-10-20-21(12-24(29)33-22(20)11-19)16-3-7-18(8-4-16)27(30)31/h1-12H,14H2,(H,26,28).
What are the key properties of N-(4-cyanophenyl)-2-[4-(4-nitrophenyl)-2-oxochromen-7-yl]oxyacetamide?
N-(4-cyanophenyl)-2-[4-(4-nitrophenyl)-2-oxochromen-7-yl]oxyacetamide has a molecular weight of 441.40 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-[4-(4-nitrophenyl)-2-oxochromen-7-yl]oxyacetamide is sourced from PubChem (CID 35775041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).