3-N-(furan-2-yl)-4-(4-nitrophenoxy)-1-N-phenylbenzene-1,3-dicarboxamide

C24H17N3O6 — CID 122417902

IUPAC3-N-(furan-2-yl)-4-(4-nitrophenoxy)-1-N-phenylbenzene-1,3-dicarboxamide
SMILESO=C(Nc1ccccc1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)c(C(=O)Nc2ccco2)c1
InChIInChI=1S/C24H17N3O6/c28-23(25-17-5-2-1-3-6-17)16-8-13-21(33-19-11-9-18(10-12-19)27(30)31)20(15-16)24(29)26-22-7-4-14-32-22/h1-15H,(H,25,28)(H,26,29)
InChIKeyWWIGBBCXDWGYJO-UHFFFAOYSA-N
MW443.42 g/mol
LogP5.48
Rot. Bonds7

About 3-N-(furan-2-yl)-4-(4-nitrophenoxy)-1-N-phenylbenzene-1,3-dicarboxamide

3-N-(furan-2-yl)-4-(4-nitrophenoxy)-1-N-phenylbenzene-1,3-dicarboxamide (PubChem CID 122417902) has the molecular formula C24H17N3O6 and a molecular weight of 443.42 g/mol. Its IUPAC name is 3-N-(furan-2-yl)-4-(4-nitrophenoxy)-1-N-phenylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(furan-2-yl)-4-(4-nitrophenoxy)-1-N-phenylbenzene-1,3-dicarboxamide
PubChem CID122417902
Molecular FormulaC24H17N3O6
Molecular Weight443.42 g/mol
Exact Mass443.11
IUPAC Name3-N-(furan-2-yl)-4-(4-nitrophenoxy)-1-N-phenylbenzene-1,3-dicarboxamide
SMILESO=C(Nc1ccccc1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)c(C(=O)Nc2ccco2)c1
InChIInChI=1S/C24H17N3O6/c28-23(25-17-5-2-1-3-6-17)16-8-13-21(33-19-11-9-18(10-12-19)27(30)31)20(15-16)24(29)26-22-7-4-14-32-22/h1-15H,(H,25,28)(H,26,29)
InChIKeyWWIGBBCXDWGYJO-UHFFFAOYSA-N
XLogP5.48
TPSA123.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.42
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(4-nitrophenoxy)-N-phenylbenzamide
CID 2977930
N-[3-(ethylcarbamoyl)phenyl]-5-nitro-2-phenoxybenzamide
CID 55757498
N-(3,4-dihydroxyphenyl)-2-(4-nitrophenoxy)benzamide
CID 70868013
2-fluoro-N-[4-(4-nitrophenoxy)phenyl]benzamide
CID 23733524
N-(3-nitrophenyl)-4-phenoxybenzamide
CID 7965638
N-[3-[(4-nitrobenzoyl)amino]phenyl]furan-2-carboxamide
CID 1333464
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-5-nitro-2-phenoxybenzamide
CID 49169005
N-(3-iodophenyl)-4-(4-nitrophenoxy)benzamide
CID 1381387
N-(2-fluoro-5-nitrophenyl)-5-nitro-2-phenoxybenzamide
CID 60528366
2-chloro-4-nitro-N-(4-phenoxyphenyl)benzamide
CID 1291023
2-(4-nitrophenoxy)benzoic acid
CID 139059188
[3,4-bis(4-nitrophenoxy)phenyl]-phenylmethanone
CID 139816675

Frequently Asked Questions

What is the IUPAC name of 3-N-(furan-2-yl)-4-(4-nitrophenoxy)-1-N-phenylbenzene-1,3-dicarboxamide?
The IUPAC name of 3-N-(furan-2-yl)-4-(4-nitrophenoxy)-1-N-phenylbenzene-1,3-dicarboxamide (CID 122417902) is 3-N-(furan-2-yl)-4-(4-nitrophenoxy)-1-N-phenylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(furan-2-yl)-4-(4-nitrophenoxy)-1-N-phenylbenzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-(furan-2-yl)-4-(4-nitrophenoxy)-1-N-phenylbenzene-1,3-dicarboxamide is O=C(Nc1ccccc1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)c(C(=O)Nc2ccco2)c1.
What is the InChIKey of 3-N-(furan-2-yl)-4-(4-nitrophenoxy)-1-N-phenylbenzene-1,3-dicarboxamide?
The InChIKey is WWIGBBCXDWGYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N3O6/c28-23(25-17-5-2-1-3-6-17)16-8-13-21(33-19-11-9-18(10-12-19)27(30)31)20(15-16)24(29)26-22-7-4-14-32-22/h1-15H,(H,25,28)(H,26,29).
What are the key properties of 3-N-(furan-2-yl)-4-(4-nitrophenoxy)-1-N-phenylbenzene-1,3-dicarboxamide?
3-N-(furan-2-yl)-4-(4-nitrophenoxy)-1-N-phenylbenzene-1,3-dicarboxamide has a molecular weight of 443.42 g/mol, XLogP of 5.48, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(furan-2-yl)-4-(4-nitrophenoxy)-1-N-phenylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 122417902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).