N-[2-(4-bromophenoxy)ethyl]-N-methyl-5-nitrofuran-2-carboxamide

C14H13BrN2O5 — CID 112793958

IUPACN-[2-(4-bromophenoxy)ethyl]-N-methyl-5-nitrofuran-2-carboxamide
SMILESCN(CCOc1ccc(Br)cc1)C(=O)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C14H13BrN2O5/c1-16(8-9-21-11-4-2-10(15)3-5-11)14(18)12-6-7-13(22-12)17(19)20/h2-7H,8-9H2,1H3
InChIKeyNCYBFEQBEJVLFX-UHFFFAOYSA-N
MW369.17 g/mol
LogP3.10
Rot. Bonds6

About N-[2-(4-bromophenoxy)ethyl]-N-methyl-5-nitrofuran-2-carboxamide

N-[2-(4-bromophenoxy)ethyl]-N-methyl-5-nitrofuran-2-carboxamide (PubChem CID 112793958) has the molecular formula C14H13BrN2O5 and a molecular weight of 369.17 g/mol. Its IUPAC name is N-[2-(4-bromophenoxy)ethyl]-N-methyl-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-bromophenoxy)ethyl]-N-methyl-5-nitrofuran-2-carboxamide
PubChem CID112793958
Molecular FormulaC14H13BrN2O5
Molecular Weight369.17 g/mol
Exact Mass368.00
IUPAC NameN-[2-(4-bromophenoxy)ethyl]-N-methyl-5-nitrofuran-2-carboxamide
SMILESCN(CCOc1ccc(Br)cc1)C(=O)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C14H13BrN2O5/c1-16(8-9-21-11-4-2-10(15)3-5-11)14(18)12-6-7-13(22-12)17(19)20/h2-7H,8-9H2,1H3
InChIKeyNCYBFEQBEJVLFX-UHFFFAOYSA-N
XLogP3.10
TPSA85.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.17
LogP ≤ 53.10
H-Bond Donors ≤ 50
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'}

Analyze N-[2-(4-bromophenoxy)ethyl]-N-methyl-5-nitrofuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-N-[2-(4-methylphenoxy)ethyl]-5-(4-nitrophenyl)furan-2-carboxamide
CID 18119275
N-[2-(4-bromophenoxy)ethyl]-N,2-dimethyl-3-nitrobenzamide
CID 112794009
N-[2-(4-bromophenoxy)ethyl]-N-methyl-2-(4-nitrophenoxy)acetamide
CID 27811305
N-(2-chloro-3-methoxypropyl)-N-methyl-5-nitrofuran-2-carboxamide
CID 63397993
N-[2-(4-bromophenoxy)ethyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 31206491
N-[2-(3-bromophenoxy)ethyl]-5-nitrofuran-2-carboxamide
CID 60549306
N-[2-(4-bromophenoxy)ethyl]-N-methylpyridine-2-carboxamide
CID 112793960
N-[2-(4-bromophenoxy)ethyl]-N-methylbutanamide
CID 60629006
4-acetamido-N-[2-(4-bromophenoxy)ethyl]-N-methylbenzamide
CID 27811339
N-[2-(4-bromophenoxy)ethyl]-N-methylcyclopropanecarboxamide
CID 60629010
2-amino-N-[2-(4-bromophenoxy)ethyl]-N,2-dimethylpropanamide
CID 61266801
N-[2-(4-bromophenoxy)ethyl]-2,4-dimethoxy-N-methylbenzamide
CID 112793987

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenoxy)ethyl]-N-methyl-5-nitrofuran-2-carboxamide?
The IUPAC name of N-[2-(4-bromophenoxy)ethyl]-N-methyl-5-nitrofuran-2-carboxamide (CID 112793958) is N-[2-(4-bromophenoxy)ethyl]-N-methyl-5-nitrofuran-2-carboxamide.
What is the SMILES notation for N-[2-(4-bromophenoxy)ethyl]-N-methyl-5-nitrofuran-2-carboxamide?
The canonical SMILES for N-[2-(4-bromophenoxy)ethyl]-N-methyl-5-nitrofuran-2-carboxamide is CN(CCOc1ccc(Br)cc1)C(=O)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of N-[2-(4-bromophenoxy)ethyl]-N-methyl-5-nitrofuran-2-carboxamide?
The InChIKey is NCYBFEQBEJVLFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O5/c1-16(8-9-21-11-4-2-10(15)3-5-11)14(18)12-6-7-13(22-12)17(19)20/h2-7H,8-9H2,1H3.
What are the key properties of N-[2-(4-bromophenoxy)ethyl]-N-methyl-5-nitrofuran-2-carboxamide?
N-[2-(4-bromophenoxy)ethyl]-N-methyl-5-nitrofuran-2-carboxamide has a molecular weight of 369.17 g/mol, XLogP of 3.10, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenoxy)ethyl]-N-methyl-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 112793958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).