5-nitro-N-[3-(propan-2-ylcarbamoyl)phenyl]furan-2-carboxamide

C15H15N3O5 — CID 35117079

IUPAC5-nitro-N-[3-(propan-2-ylcarbamoyl)phenyl]furan-2-carboxamide
SMILESCC(C)NC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])o2)c1
InChIInChI=1S/C15H15N3O5/c1-9(2)16-14(19)10-4-3-5-11(8-10)17-15(20)12-6-7-13(23-12)18(21)22/h3-9H,1-2H3,(H,16,19)(H,17,20)
InChIKeyFHOMTOJLEBUOKK-UHFFFAOYSA-N
MW317.30 g/mol
LogP2.58
Rot. Bonds5

About 5-nitro-N-[3-(propan-2-ylcarbamoyl)phenyl]furan-2-carboxamide

5-nitro-N-[3-(propan-2-ylcarbamoyl)phenyl]furan-2-carboxamide (PubChem CID 35117079) has the molecular formula C15H15N3O5 and a molecular weight of 317.30 g/mol. Its IUPAC name is 5-nitro-N-[3-(propan-2-ylcarbamoyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-nitro-N-[3-(propan-2-ylcarbamoyl)phenyl]furan-2-carboxamide
PubChem CID35117079
Molecular FormulaC15H15N3O5
Molecular Weight317.30 g/mol
Exact Mass317.10
IUPAC Name5-nitro-N-[3-(propan-2-ylcarbamoyl)phenyl]furan-2-carboxamide
SMILESCC(C)NC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])o2)c1
InChIInChI=1S/C15H15N3O5/c1-9(2)16-14(19)10-4-3-5-11(8-10)17-15(20)12-6-7-13(23-12)18(21)22/h3-9H,1-2H3,(H,16,19)(H,17,20)
InChIKeyFHOMTOJLEBUOKK-UHFFFAOYSA-N
XLogP2.58
TPSA114.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 52.58
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-(3-acetylphenyl)-5-nitrofuran-2-carboxamide
CID 823973
N-[3-(2-methylpropylcarbamoyl)phenyl]-5-nitrofuran-2-carboxamide
CID 155681472
N-[3-(diethylcarbamoyl)phenyl]-5-nitrofuran-2-carboxamide
CID 51148651
N-[3-(cyclohexylcarbamoyl)phenyl]-5-nitrofuran-2-carboxamide
CID 155412684
N-[3-(methoxymethyl)phenyl]-5-nitrofuran-2-carboxamide
CID 33098918
ethane;5-nitro-N-phenylfuran-2-carboxamide
CID 145187045
N-[4-[(3-chlorobenzoyl)amino]phenyl]-5-nitrofuran-2-carboxamide
CID 3117355
N-[(1S)-1-(3-acetamidophenyl)ethyl]-5-nitrofuran-2-carboxamide
CID 37468714
N-(3,5-dimethylphenyl)-5-nitrofuran-2-carboxamide
CID 757048
N-[3-(cyanomethoxy)phenyl]-5-nitrofuran-2-carboxamide
CID 43369164
N-(4-anilinophenyl)-5-nitrofuran-2-carboxamide
CID 17146584
N-[3-(diethylsulfamoyl)phenyl]-5-nitrofuran-2-carboxamide
CID 8883872

Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-[3-(propan-2-ylcarbamoyl)phenyl]furan-2-carboxamide?
The IUPAC name of 5-nitro-N-[3-(propan-2-ylcarbamoyl)phenyl]furan-2-carboxamide (CID 35117079) is 5-nitro-N-[3-(propan-2-ylcarbamoyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-nitro-N-[3-(propan-2-ylcarbamoyl)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-nitro-N-[3-(propan-2-ylcarbamoyl)phenyl]furan-2-carboxamide is CC(C)NC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])o2)c1.
What is the InChIKey of 5-nitro-N-[3-(propan-2-ylcarbamoyl)phenyl]furan-2-carboxamide?
The InChIKey is FHOMTOJLEBUOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O5/c1-9(2)16-14(19)10-4-3-5-11(8-10)17-15(20)12-6-7-13(23-12)18(21)22/h3-9H,1-2H3,(H,16,19)(H,17,20).
What are the key properties of 5-nitro-N-[3-(propan-2-ylcarbamoyl)phenyl]furan-2-carboxamide?
5-nitro-N-[3-(propan-2-ylcarbamoyl)phenyl]furan-2-carboxamide has a molecular weight of 317.30 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-[3-(propan-2-ylcarbamoyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 35117079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).