N-(4-chloro-2,5-dimethoxyphenyl)-5-(2-nitrophenyl)furan-2-carboxamide

C19H15ClN2O6 — CID 1315583

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-5-(2-nitrophenyl)furan-2-carboxamide
SMILESCOc1cc(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)c(OC)cc1Cl
InChIInChI=1S/C19H15ClN2O6/c1-26-17-10-13(18(27-2)9-12(17)20)21-19(23)16-8-7-15(28-16)11-5-3-4-6-14(11)22(24)25/h3-10H,1-2H3,(H,21,23)
InChIKeyIKAOUXDSJBDZMP-UHFFFAOYSA-N
MW402.79 g/mol
LogP4.78
Rot. Bonds6

About N-(4-chloro-2,5-dimethoxyphenyl)-5-(2-nitrophenyl)furan-2-carboxamide

N-(4-chloro-2,5-dimethoxyphenyl)-5-(2-nitrophenyl)furan-2-carboxamide (PubChem CID 1315583) has the molecular formula C19H15ClN2O6 and a molecular weight of 402.79 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-5-(2-nitrophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-5-(2-nitrophenyl)furan-2-carboxamide
PubChem CID1315583
Molecular FormulaC19H15ClN2O6
Molecular Weight402.79 g/mol
Exact Mass402.06
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-5-(2-nitrophenyl)furan-2-carboxamide
SMILESCOc1cc(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)c(OC)cc1Cl
InChIInChI=1S/C19H15ClN2O6/c1-26-17-10-13(18(27-2)9-12(17)20)21-19(23)16-8-7-15(28-16)11-5-3-4-6-14(11)22(24)25/h3-10H,1-2H3,(H,21,23)
InChIKeyIKAOUXDSJBDZMP-UHFFFAOYSA-N
XLogP4.78
TPSA103.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.79
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(4-chloro-2,5-dimethoxyphenyl)-5-(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

N-(4-chloro-2,5-dimethoxyphenyl)-5-(2,3-dichlorophenyl)furan-2-carboxamide
CID 1277633
N-(5-chloro-2,4-dimethoxyphenyl)-5-(2-fluorophenyl)furan-2-carboxamide
CID 8011799
5-(2-chlorophenyl)-N-(2-nitrophenyl)furan-2-carboxamide
CID 2946540
N-[2-chloro-5-(propanoylamino)phenyl]-5-(2-nitrophenyl)furan-2-carboxamide
CID 22776195
N-(4-acetamidophenyl)-5-(2-nitrophenyl)furan-2-carboxamide
CID 17426635
N-(2,4-difluorophenyl)-5-(2-nitrophenyl)furan-2-carboxamide
CID 801149
N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-nitrophenyl)acetamide
CID 1351291
N-(3-chloro-2-pyrrolidin-1-ylphenyl)-5-(2-nitrophenyl)furan-2-carboxamide
CID 1243960
5-(2,3-dichlorophenyl)-N-(4-methoxy-3-nitrophenyl)furan-2-carboxamide
CID 1422030
5-(2-methoxy-4-nitrophenyl)-N-(2-methoxyphenyl)furan-2-carboxamide
CID 2273249
5-acetamido-N-(4-chloro-2,5-dimethoxyphenyl)furan-2-carboxamide
CID 110699998
5-(2-nitrophenyl)-N-(4-propan-2-ylphenyl)furan-2-carboxamide
CID 23877668

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-5-(2-nitrophenyl)furan-2-carboxamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-5-(2-nitrophenyl)furan-2-carboxamide (CID 1315583) is N-(4-chloro-2,5-dimethoxyphenyl)-5-(2-nitrophenyl)furan-2-carboxamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-5-(2-nitrophenyl)furan-2-carboxamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-5-(2-nitrophenyl)furan-2-carboxamide is COc1cc(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)c(OC)cc1Cl.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-5-(2-nitrophenyl)furan-2-carboxamide?
The InChIKey is IKAOUXDSJBDZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O6/c1-26-17-10-13(18(27-2)9-12(17)20)21-19(23)16-8-7-15(28-16)11-5-3-4-6-14(11)22(24)25/h3-10H,1-2H3,(H,21,23).
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-5-(2-nitrophenyl)furan-2-carboxamide?
N-(4-chloro-2,5-dimethoxyphenyl)-5-(2-nitrophenyl)furan-2-carboxamide has a molecular weight of 402.79 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,5-dimethoxyphenyl)-5-(2-nitrophenyl)furan-2-carboxamide is sourced from PubChem (CID 1315583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).