N-[(2-bromophenyl)methyl]-N-methyl-5-nitrofuran-2-carboxamide

C13H11BrN2O4 — CID 34867078

IUPACN-[(2-bromophenyl)methyl]-N-methyl-5-nitrofuran-2-carboxamide
SMILESCN(Cc1ccccc1Br)C(=O)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C13H11BrN2O4/c1-15(8-9-4-2-3-5-10(9)14)13(17)11-6-7-12(20-11)16(18)19/h2-7H,8H2,1H3
InChIKeyUVEANGZAMDFFBA-UHFFFAOYSA-N
MW339.14 g/mol
LogP3.22
Rot. Bonds4

About N-[(2-bromophenyl)methyl]-N-methyl-5-nitrofuran-2-carboxamide

N-[(2-bromophenyl)methyl]-N-methyl-5-nitrofuran-2-carboxamide (PubChem CID 34867078) has the molecular formula C13H11BrN2O4 and a molecular weight of 339.14 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-N-methyl-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-N-methyl-5-nitrofuran-2-carboxamide
PubChem CID34867078
Molecular FormulaC13H11BrN2O4
Molecular Weight339.14 g/mol
Exact Mass337.99
IUPAC NameN-[(2-bromophenyl)methyl]-N-methyl-5-nitrofuran-2-carboxamide
SMILESCN(Cc1ccccc1Br)C(=O)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C13H11BrN2O4/c1-15(8-9-4-2-3-5-10(9)14)13(17)11-6-7-12(20-11)16(18)19/h2-7H,8H2,1H3
InChIKeyUVEANGZAMDFFBA-UHFFFAOYSA-N
XLogP3.22
TPSA76.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.14
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl] 5-nitrofuran-2-carboxylate
CID 30473419
N-[(2-bromophenyl)methyl]-5-nitrofuran-2-carboxamide
CID 17146681
N-[(2-bromophenyl)methyl]-5-ethyl-N-methylfuran-2-carboxamide
CID 112726756
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-5-nitrofuran-2-carboxamide
CID 54942261
N-[(2-bromophenyl)methyl]-N-methyl-3,5-dinitrobenzamide
CID 32812242
N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-5-nitrofuran-2-carboxamide
CID 46450103
N-[2-(4-bromophenoxy)ethyl]-N-methyl-5-nitrofuran-2-carboxamide
CID 112793958
5-bromo-N-methyl-N-[(2-methylphenyl)methyl]furan-2-carboxamide
CID 60631156
N-[(2-bromophenyl)methyl]-5-[(4-fluorophenoxy)methyl]-N-methylfuran-2-carboxamide
CID 31215377
N-ethyl-5-nitro-N-phenylfuran-2-carboxamide
CID 773502
methyl 3-[(2-bromophenyl)methyl-methylcarbamoyl]-5-nitrobenzoate
CID 26555341
N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]-N-methyl-5-nitrofuran-2-carboxamide
CID 96567467

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-N-methyl-5-nitrofuran-2-carboxamide?
The IUPAC name of N-[(2-bromophenyl)methyl]-N-methyl-5-nitrofuran-2-carboxamide (CID 34867078) is N-[(2-bromophenyl)methyl]-N-methyl-5-nitrofuran-2-carboxamide.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-N-methyl-5-nitrofuran-2-carboxamide?
The canonical SMILES for N-[(2-bromophenyl)methyl]-N-methyl-5-nitrofuran-2-carboxamide is CN(Cc1ccccc1Br)C(=O)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of N-[(2-bromophenyl)methyl]-N-methyl-5-nitrofuran-2-carboxamide?
The InChIKey is UVEANGZAMDFFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O4/c1-15(8-9-4-2-3-5-10(9)14)13(17)11-6-7-12(20-11)16(18)19/h2-7H,8H2,1H3.
What are the key properties of N-[(2-bromophenyl)methyl]-N-methyl-5-nitrofuran-2-carboxamide?
N-[(2-bromophenyl)methyl]-N-methyl-5-nitrofuran-2-carboxamide has a molecular weight of 339.14 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-N-methyl-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 34867078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).