5-nitro-N-[2-(2-phenylethylcarbamoyl)phenyl]furan-2-carboxamide

C20H17N3O5 — CID 51148461

IUPAC5-nitro-N-[2-(2-phenylethylcarbamoyl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccccc1C(=O)NCCc1ccccc1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C20H17N3O5/c24-19(21-13-12-14-6-2-1-3-7-14)15-8-4-5-9-16(15)22-20(25)17-10-11-18(28-17)23(26)27/h1-11H,12-13H2,(H,21,24)(H,22,25)
InChIKeyZQDQFBJOHGDXSJ-UHFFFAOYSA-N
MW379.37 g/mol
LogP3.41
Rot. Bonds7

About 5-nitro-N-[2-(2-phenylethylcarbamoyl)phenyl]furan-2-carboxamide

5-nitro-N-[2-(2-phenylethylcarbamoyl)phenyl]furan-2-carboxamide (PubChem CID 51148461) has the molecular formula C20H17N3O5 and a molecular weight of 379.37 g/mol. Its IUPAC name is 5-nitro-N-[2-(2-phenylethylcarbamoyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-nitro-N-[2-(2-phenylethylcarbamoyl)phenyl]furan-2-carboxamide
PubChem CID51148461
Molecular FormulaC20H17N3O5
Molecular Weight379.37 g/mol
Exact Mass379.12
IUPAC Name5-nitro-N-[2-(2-phenylethylcarbamoyl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccccc1C(=O)NCCc1ccccc1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C20H17N3O5/c24-19(21-13-12-14-6-2-1-3-7-14)15-8-4-5-9-16(15)22-20(25)17-10-11-18(28-17)23(26)27/h1-11H,12-13H2,(H,21,24)(H,22,25)
InChIKeyZQDQFBJOHGDXSJ-UHFFFAOYSA-N
XLogP3.41
TPSA114.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.37
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

N-(2-acetylphenyl)-5-nitrofuran-2-carboxamide
CID 17146683
methyl 2-[(5-nitrofuran-2-carbonyl)amino]benzoate
CID 770812
N-(2-iodophenyl)-5-nitrofuran-2-carboxamide
CID 3269060
5-nitro-N-(2-phenylphenyl)furan-2-carboxamide
CID 23829547
N-[2-[[4-(diethylamino)phenyl]carbamoyl]phenyl]-5-nitrofuran-2-carboxamide
CID 30898789
[2-(2-phenylethylcarbamoyl)phenyl]carbamothioic S-acid
CID 155166285
2-[(2-nitrobenzoyl)carbamothioylamino]-N-(2-phenylethyl)benzamide
CID 4929909
2-[[2-[(4-nitrophenyl)methylsulfanyl]acetyl]amino]-N-(2-phenylethyl)benzamide
CID 1312543
N-[2-(methylaminomethyl)phenyl]-5-nitrofuran-2-carboxamide
CID 43600991
N-[2-(2-phenylethylcarbamoyl)phenyl]furan-3-carboxamide
CID 18102051
2-benzamido-4-nitro-N-(2-phenylethyl)benzamide
CID 1267964
5-nitro-N-(2-sulfamoylphenyl)furan-2-carboxamide
CID 61128250

Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-[2-(2-phenylethylcarbamoyl)phenyl]furan-2-carboxamide?
The IUPAC name of 5-nitro-N-[2-(2-phenylethylcarbamoyl)phenyl]furan-2-carboxamide (CID 51148461) is 5-nitro-N-[2-(2-phenylethylcarbamoyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-nitro-N-[2-(2-phenylethylcarbamoyl)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-nitro-N-[2-(2-phenylethylcarbamoyl)phenyl]furan-2-carboxamide is O=C(Nc1ccccc1C(=O)NCCc1ccccc1)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of 5-nitro-N-[2-(2-phenylethylcarbamoyl)phenyl]furan-2-carboxamide?
The InChIKey is ZQDQFBJOHGDXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O5/c24-19(21-13-12-14-6-2-1-3-7-14)15-8-4-5-9-16(15)22-20(25)17-10-11-18(28-17)23(26)27/h1-11H,12-13H2,(H,21,24)(H,22,25).
What are the key properties of 5-nitro-N-[2-(2-phenylethylcarbamoyl)phenyl]furan-2-carboxamide?
5-nitro-N-[2-(2-phenylethylcarbamoyl)phenyl]furan-2-carboxamide has a molecular weight of 379.37 g/mol, XLogP of 3.41, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-[2-(2-phenylethylcarbamoyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 51148461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).