5-[(2-chloro-4-fluorophenoxy)methyl]-N-(2-nitrophenyl)furan-2-carboxamide

C18H12ClFN2O5 — CID 19452993

IUPAC5-[(2-chloro-4-fluorophenoxy)methyl]-N-(2-nitrophenyl)furan-2-carboxamide
SMILESO=C(Nc1ccccc1[N+](=O)[O-])c1ccc(COc2ccc(F)cc2Cl)o1
InChIInChI=1S/C18H12ClFN2O5/c19-13-9-11(20)5-7-16(13)26-10-12-6-8-17(27-12)18(23)21-14-3-1-2-4-15(14)22(24)25/h1-9H,10H2,(H,21,23)
InChIKeyVGFQPKKMAJNXRA-UHFFFAOYSA-N
MW390.75 g/mol
LogP4.81
Rot. Bonds6

About 5-[(2-chloro-4-fluorophenoxy)methyl]-N-(2-nitrophenyl)furan-2-carboxamide

5-[(2-chloro-4-fluorophenoxy)methyl]-N-(2-nitrophenyl)furan-2-carboxamide (PubChem CID 19452993) has the molecular formula C18H12ClFN2O5 and a molecular weight of 390.75 g/mol. Its IUPAC name is 5-[(2-chloro-4-fluorophenoxy)methyl]-N-(2-nitrophenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(2-chloro-4-fluorophenoxy)methyl]-N-(2-nitrophenyl)furan-2-carboxamide
PubChem CID19452993
Molecular FormulaC18H12ClFN2O5
Molecular Weight390.75 g/mol
Exact Mass390.04
IUPAC Name5-[(2-chloro-4-fluorophenoxy)methyl]-N-(2-nitrophenyl)furan-2-carboxamide
SMILESO=C(Nc1ccccc1[N+](=O)[O-])c1ccc(COc2ccc(F)cc2Cl)o1
InChIInChI=1S/C18H12ClFN2O5/c19-13-9-11(20)5-7-16(13)26-10-12-6-8-17(27-12)18(23)21-14-3-1-2-4-15(14)22(24)25/h1-9H,10H2,(H,21,23)
InChIKeyVGFQPKKMAJNXRA-UHFFFAOYSA-N
XLogP4.81
TPSA94.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.75
LogP ≤ 54.81
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 5-[(2-chloro-4-fluorophenoxy)methyl]-N-(2-nitrophenyl)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

5-[(2-chloro-4-fluorophenoxy)methyl]-N-(2-methoxy-5-methylphenyl)furan-2-carboxamide
CID 19452910
5-[(3-methoxyphenoxy)methyl]-N-(2-nitrophenyl)furan-2-carboxamide
CID 19412725
5-[(2-chloro-4-nitrophenoxy)methyl]-N-(4-nitrophenyl)furan-2-carboxamide
CID 19461760
5-[(2-chloro-4-fluorophenoxy)methyl]-N-[2-(difluoromethoxy)-5-methylphenyl]furan-2-carboxamide
CID 19453001
5-[(2-chlorophenoxy)methyl]-N-(2,6-dibromo-4-nitrophenyl)furan-2-carboxamide
CID 19457031
5-[(2-chloro-4-fluorophenoxy)methyl]-N-[3-(4-chloro-2-methylphenoxy)-5-nitrophenyl]furan-2-carboxamide
CID 19453050
5-[(2,4-difluorophenoxy)methyl]-N-(4-methyl-3,5-dinitrophenyl)furan-2-carboxamide
CID 19453273
N-(1-benzyl-1,2,4-triazol-3-yl)-5-[(2-chloro-4-fluorophenoxy)methyl]furan-2-carboxamide
CID 19453022
5-[(2-chloro-5-nitrophenoxy)methyl]-N-[2-(difluoromethoxy)-4-fluorophenyl]furan-2-carboxamide
CID 19459716
N-[3-chloro-4-(difluoromethoxy)phenyl]-5-[(2-chloro-4-fluorophenoxy)methyl]furan-2-carboxamide
CID 19452984
N-(4-fluorophenyl)-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide
CID 5067006
N-(2-chloro-5-nitrophenyl)-5-[(2,3-dichlorophenoxy)methyl]furan-2-carboxamide
CID 19415750

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-4-fluorophenoxy)methyl]-N-(2-nitrophenyl)furan-2-carboxamide?
The IUPAC name of 5-[(2-chloro-4-fluorophenoxy)methyl]-N-(2-nitrophenyl)furan-2-carboxamide (CID 19452993) is 5-[(2-chloro-4-fluorophenoxy)methyl]-N-(2-nitrophenyl)furan-2-carboxamide.
What is the SMILES notation for 5-[(2-chloro-4-fluorophenoxy)methyl]-N-(2-nitrophenyl)furan-2-carboxamide?
The canonical SMILES for 5-[(2-chloro-4-fluorophenoxy)methyl]-N-(2-nitrophenyl)furan-2-carboxamide is O=C(Nc1ccccc1[N+](=O)[O-])c1ccc(COc2ccc(F)cc2Cl)o1.
What is the InChIKey of 5-[(2-chloro-4-fluorophenoxy)methyl]-N-(2-nitrophenyl)furan-2-carboxamide?
The InChIKey is VGFQPKKMAJNXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClFN2O5/c19-13-9-11(20)5-7-16(13)26-10-12-6-8-17(27-12)18(23)21-14-3-1-2-4-15(14)22(24)25/h1-9H,10H2,(H,21,23).
What are the key properties of 5-[(2-chloro-4-fluorophenoxy)methyl]-N-(2-nitrophenyl)furan-2-carboxamide?
5-[(2-chloro-4-fluorophenoxy)methyl]-N-(2-nitrophenyl)furan-2-carboxamide has a molecular weight of 390.75 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-4-fluorophenoxy)methyl]-N-(2-nitrophenyl)furan-2-carboxamide is sourced from PubChem (CID 19452993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).