N-(4-bromo-2-fluorophenyl)-5-[(4-nitrophenoxy)methyl]furan-2-carboxamide

C18H12BrFN2O5 — CID 19465375

IUPACN-(4-bromo-2-fluorophenyl)-5-[(4-nitrophenoxy)methyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(Br)cc1F)c1ccc(COc2ccc([N+](=O)[O-])cc2)o1
InChIInChI=1S/C18H12BrFN2O5/c19-11-1-7-16(15(20)9-11)21-18(23)17-8-6-14(27-17)10-26-13-4-2-12(3-5-13)22(24)25/h1-9H,10H2,(H,21,23)
InChIKeyHVIQIDMHLSXBCI-UHFFFAOYSA-N
MW435.21 g/mol
LogP4.92
Rot. Bonds6

About N-(4-bromo-2-fluorophenyl)-5-[(4-nitrophenoxy)methyl]furan-2-carboxamide

N-(4-bromo-2-fluorophenyl)-5-[(4-nitrophenoxy)methyl]furan-2-carboxamide (PubChem CID 19465375) has the molecular formula C18H12BrFN2O5 and a molecular weight of 435.21 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-5-[(4-nitrophenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-5-[(4-nitrophenoxy)methyl]furan-2-carboxamide
PubChem CID19465375
Molecular FormulaC18H12BrFN2O5
Molecular Weight435.21 g/mol
Exact Mass433.99
IUPAC NameN-(4-bromo-2-fluorophenyl)-5-[(4-nitrophenoxy)methyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(Br)cc1F)c1ccc(COc2ccc([N+](=O)[O-])cc2)o1
InChIInChI=1S/C18H12BrFN2O5/c19-11-1-7-16(15(20)9-11)21-18(23)17-8-6-14(27-17)10-26-13-4-2-12(3-5-13)22(24)25/h1-9H,10H2,(H,21,23)
InChIKeyHVIQIDMHLSXBCI-UHFFFAOYSA-N
XLogP4.92
TPSA94.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.21
LogP ≤ 54.92
H-Bond Donors ≤ 51
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-(4-bromo-2-fluorophenyl)-5-[(4-nitrophenoxy)methyl]furan-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-(4-bromo-2-fluorophenyl)-5-[(4-bromophenoxy)methyl]furan-2-carboxamide
CID 19413479
N-(2-hydroxy-4-nitrophenyl)-5-[(4-iodophenoxy)methyl]furan-2-carboxamide
CID 19446067
N-(2-hydroxy-5-nitrophenyl)-5-[(4-iodophenoxy)methyl]furan-2-carboxamide
CID 19446066
5-[(4-iodophenoxy)methyl]-N-(2-methoxy-4-nitrophenyl)furan-2-carboxamide
CID 19417299
N-(2-hydroxy-5-nitrophenyl)-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19451270
N-(4-ethoxy-2-nitrophenyl)-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide
CID 19413316
N-(4-fluoro-3-nitrophenyl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
CID 36705158
N-(4-bromo-2-fluorophenyl)-5-(4-methoxy-2-nitrophenyl)furan-2-carboxamide
CID 43840683
methyl 4-[[5-[(2,6-dibromo-4-nitrophenyl)carbamoyl]furan-2-yl]methoxy]benzoate
CID 19448964
5-[(2-bromophenoxy)methyl]-N-(2-hydroxy-4-nitrophenyl)furan-2-carboxamide
CID 19450414
5-[(4-acetylphenoxy)methyl]-N-(4-chloro-2-nitrophenyl)furan-2-carboxamide
CID 19455225
methyl 1-methyl-4-[[5-[(4-nitrophenoxy)methyl]furan-2-carbonyl]amino]pyrazole-5-carboxylate
CID 19342126

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-5-[(4-nitrophenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-5-[(4-nitrophenoxy)methyl]furan-2-carboxamide (CID 19465375) is N-(4-bromo-2-fluorophenyl)-5-[(4-nitrophenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-5-[(4-nitrophenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-5-[(4-nitrophenoxy)methyl]furan-2-carboxamide is O=C(Nc1ccc(Br)cc1F)c1ccc(COc2ccc([N+](=O)[O-])cc2)o1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-5-[(4-nitrophenoxy)methyl]furan-2-carboxamide?
The InChIKey is HVIQIDMHLSXBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrFN2O5/c19-11-1-7-16(15(20)9-11)21-18(23)17-8-6-14(27-17)10-26-13-4-2-12(3-5-13)22(24)25/h1-9H,10H2,(H,21,23).
What are the key properties of N-(4-bromo-2-fluorophenyl)-5-[(4-nitrophenoxy)methyl]furan-2-carboxamide?
N-(4-bromo-2-fluorophenyl)-5-[(4-nitrophenoxy)methyl]furan-2-carboxamide has a molecular weight of 435.21 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-5-[(4-nitrophenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19465375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).