N-(2-chloro-5-nitrophenyl)-5-[(2,3-dichlorophenoxy)methyl]furan-2-carboxamide

C18H11Cl3N2O5 — CID 19415750

IUPACN-(2-chloro-5-nitrophenyl)-5-[(2,3-dichlorophenoxy)methyl]furan-2-carboxamide
SMILESO=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(COc2cccc(Cl)c2Cl)o1
InChIInChI=1S/C18H11Cl3N2O5/c19-12-6-4-10(23(25)26)8-14(12)22-18(24)16-7-5-11(28-16)9-27-15-3-1-2-13(20)17(15)21/h1-8H,9H2,(H,22,24)
InChIKeyJSTPOMUICZTDIX-UHFFFAOYSA-N
MW441.65 g/mol
LogP5.98
Rot. Bonds6

About N-(2-chloro-5-nitrophenyl)-5-[(2,3-dichlorophenoxy)methyl]furan-2-carboxamide

N-(2-chloro-5-nitrophenyl)-5-[(2,3-dichlorophenoxy)methyl]furan-2-carboxamide (PubChem CID 19415750) has the molecular formula C18H11Cl3N2O5 and a molecular weight of 441.65 g/mol. Its IUPAC name is N-(2-chloro-5-nitrophenyl)-5-[(2,3-dichlorophenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-5-nitrophenyl)-5-[(2,3-dichlorophenoxy)methyl]furan-2-carboxamide
PubChem CID19415750
Molecular FormulaC18H11Cl3N2O5
Molecular Weight441.65 g/mol
Exact Mass439.97
IUPAC NameN-(2-chloro-5-nitrophenyl)-5-[(2,3-dichlorophenoxy)methyl]furan-2-carboxamide
SMILESO=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(COc2cccc(Cl)c2Cl)o1
InChIInChI=1S/C18H11Cl3N2O5/c19-12-6-4-10(23(25)26)8-14(12)22-18(24)16-7-5-11(28-16)9-27-15-3-1-2-13(20)17(15)21/h1-8H,9H2,(H,22,24)
InChIKeyJSTPOMUICZTDIX-UHFFFAOYSA-N
XLogP5.98
TPSA94.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.65
LogP ≤ 55.98
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-(2-chloro-5-nitrophenyl)-5-[(2,3-dichlorophenoxy)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

5-[(2-bromophenoxy)methyl]-N-(2-hydroxy-4-nitrophenyl)furan-2-carboxamide
CID 19450414
5-[(4-chloro-3-methylphenoxy)methyl]-N-(2-chloro-5-nitrophenyl)furan-2-carboxamide
CID 19417030
5-[(2-chloro-5-nitrophenoxy)methyl]-N-(3-hydroxyphenyl)furan-2-carboxamide
CID 19459722
5-[(2-chloro-5-nitrophenoxy)methyl]-N-(3,4-dichlorophenyl)furan-2-carboxamide
CID 19459453
5-[(2-chloro-4-nitrophenoxy)methyl]-N-(4-nitrophenyl)furan-2-carboxamide
CID 19461760
5-[(2,5-dichlorophenoxy)methyl]-N-(2,3-dichlorophenyl)furan-2-carboxamide
CID 1269599
5-[(2-chlorophenoxy)methyl]-N-(2,6-dibromo-4-nitrophenyl)furan-2-carboxamide
CID 19457031
5-[(2,3-dichlorophenoxy)methyl]-N-[2-(difluoromethoxy)phenyl]furan-2-carboxamide
CID 19415778
5-[(2-chloro-6-methylphenoxy)methyl]-N-(2-methoxy-4-nitrophenyl)furan-2-carboxamide
CID 19459275
5-[(2,3-dichlorophenoxy)methyl]-N-(3-methoxyphenyl)furan-2-carboxamide
CID 19415701
5-[(2-chloro-5-nitrophenoxy)methyl]-N-(2-fluoro-5-methylphenyl)furan-2-carboxamide
CID 19459513
5-[(2-chloro-5-nitrophenoxy)methyl]-N-[2-(difluoromethoxy)-4-fluorophenyl]furan-2-carboxamide
CID 19459716

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-nitrophenyl)-5-[(2,3-dichlorophenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-(2-chloro-5-nitrophenyl)-5-[(2,3-dichlorophenoxy)methyl]furan-2-carboxamide (CID 19415750) is N-(2-chloro-5-nitrophenyl)-5-[(2,3-dichlorophenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-(2-chloro-5-nitrophenyl)-5-[(2,3-dichlorophenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-(2-chloro-5-nitrophenyl)-5-[(2,3-dichlorophenoxy)methyl]furan-2-carboxamide is O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(COc2cccc(Cl)c2Cl)o1.
What is the InChIKey of N-(2-chloro-5-nitrophenyl)-5-[(2,3-dichlorophenoxy)methyl]furan-2-carboxamide?
The InChIKey is JSTPOMUICZTDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11Cl3N2O5/c19-12-6-4-10(23(25)26)8-14(12)22-18(24)16-7-5-11(28-16)9-27-15-3-1-2-13(20)17(15)21/h1-8H,9H2,(H,22,24).
What are the key properties of N-(2-chloro-5-nitrophenyl)-5-[(2,3-dichlorophenoxy)methyl]furan-2-carboxamide?
N-(2-chloro-5-nitrophenyl)-5-[(2,3-dichlorophenoxy)methyl]furan-2-carboxamide has a molecular weight of 441.65 g/mol, XLogP of 5.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-nitrophenyl)-5-[(2,3-dichlorophenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19415750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).