N-[3-(2-methylpropylcarbamoyl)phenyl]-5-nitrofuran-2-carboxamide

C16H17N3O5 — CID 155681472

IUPACN-[3-(2-methylpropylcarbamoyl)phenyl]-5-nitrofuran-2-carboxamide
SMILESCC(C)CNC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])o2)c1
InChIInChI=1S/C16H17N3O5/c1-10(2)9-17-15(20)11-4-3-5-12(8-11)18-16(21)13-6-7-14(24-13)19(22)23/h3-8,10H,9H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyQQNJUFPPXMSNNW-UHFFFAOYSA-N
MW331.33 g/mol
LogP2.83
Rot. Bonds6

About N-[3-(2-methylpropylcarbamoyl)phenyl]-5-nitrofuran-2-carboxamide

N-[3-(2-methylpropylcarbamoyl)phenyl]-5-nitrofuran-2-carboxamide (PubChem CID 155681472) has the molecular formula C16H17N3O5 and a molecular weight of 331.33 g/mol. Its IUPAC name is N-[3-(2-methylpropylcarbamoyl)phenyl]-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2-methylpropylcarbamoyl)phenyl]-5-nitrofuran-2-carboxamide
PubChem CID155681472
Molecular FormulaC16H17N3O5
Molecular Weight331.33 g/mol
Exact Mass331.12
IUPAC NameN-[3-(2-methylpropylcarbamoyl)phenyl]-5-nitrofuran-2-carboxamide
SMILESCC(C)CNC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])o2)c1
InChIInChI=1S/C16H17N3O5/c1-10(2)9-17-15(20)11-4-3-5-12(8-11)18-16(21)13-6-7-14(24-13)19(22)23/h3-8,10H,9H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyQQNJUFPPXMSNNW-UHFFFAOYSA-N
XLogP2.83
TPSA114.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 52.83
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

5-nitro-N-[3-(propan-2-ylcarbamoyl)phenyl]furan-2-carboxamide
CID 35117079
N-(3-acetylphenyl)-5-nitrofuran-2-carboxamide
CID 823973
N-[3-(diethylcarbamoyl)phenyl]-5-nitrofuran-2-carboxamide
CID 51148651
5-bromo-N-[3-(2-methylpropylcarbamoyl)phenyl]furan-2-carboxamide
CID 9323689
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
3-N-(3-acetamidophenyl)-1-N-(2-methylpropyl)benzene-1,3-dicarboxamide
CID 109051379
N-[3-[[(5-nitrofuran-2-carbonyl)amino]methyl]phenyl]pyridine-4-carboxamide
CID 60540832
N-[3-(diethylsulfamoyl)phenyl]-5-nitrofuran-2-carboxamide
CID 8883872
3-[[2-(4-chlorophenyl)acetyl]amino]-N-(2-methylpropyl)benzamide
CID 879496

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylpropylcarbamoyl)phenyl]-5-nitrofuran-2-carboxamide?
The IUPAC name of N-[3-(2-methylpropylcarbamoyl)phenyl]-5-nitrofuran-2-carboxamide (CID 155681472) is N-[3-(2-methylpropylcarbamoyl)phenyl]-5-nitrofuran-2-carboxamide.
What is the SMILES notation for N-[3-(2-methylpropylcarbamoyl)phenyl]-5-nitrofuran-2-carboxamide?
The canonical SMILES for N-[3-(2-methylpropylcarbamoyl)phenyl]-5-nitrofuran-2-carboxamide is CC(C)CNC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])o2)c1.
What is the InChIKey of N-[3-(2-methylpropylcarbamoyl)phenyl]-5-nitrofuran-2-carboxamide?
The InChIKey is QQNJUFPPXMSNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O5/c1-10(2)9-17-15(20)11-4-3-5-12(8-11)18-16(21)13-6-7-14(24-13)19(22)23/h3-8,10H,9H2,1-2H3,(H,17,20)(H,18,21).
What are the key properties of N-[3-(2-methylpropylcarbamoyl)phenyl]-5-nitrofuran-2-carboxamide?
N-[3-(2-methylpropylcarbamoyl)phenyl]-5-nitrofuran-2-carboxamide has a molecular weight of 331.33 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylpropylcarbamoyl)phenyl]-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 155681472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).