N-(2,3-dimethylphenyl)-5-(4-methoxy-2-nitrophenyl)furan-2-carboxamide

C20H18N2O5 — CID 43840667

IUPACN-(2,3-dimethylphenyl)-5-(4-methoxy-2-nitrophenyl)furan-2-carboxamide
SMILESCOc1ccc(-c2ccc(C(=O)Nc3cccc(C)c3C)o2)c([N+](=O)[O-])c1
InChIInChI=1S/C20H18N2O5/c1-12-5-4-6-16(13(12)2)21-20(23)19-10-9-18(27-19)15-8-7-14(26-3)11-17(15)22(24)25/h4-11H,1-3H3,(H,21,23)
InChIKeyCWHJBJOWYGEDFM-UHFFFAOYSA-N
MW366.37 g/mol
LogP4.73
Rot. Bonds5

About N-(2,3-dimethylphenyl)-5-(4-methoxy-2-nitrophenyl)furan-2-carboxamide

N-(2,3-dimethylphenyl)-5-(4-methoxy-2-nitrophenyl)furan-2-carboxamide (PubChem CID 43840667) has the molecular formula C20H18N2O5 and a molecular weight of 366.37 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-5-(4-methoxy-2-nitrophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-5-(4-methoxy-2-nitrophenyl)furan-2-carboxamide
PubChem CID43840667
Molecular FormulaC20H18N2O5
Molecular Weight366.37 g/mol
Exact Mass366.12
IUPAC NameN-(2,3-dimethylphenyl)-5-(4-methoxy-2-nitrophenyl)furan-2-carboxamide
SMILESCOc1ccc(-c2ccc(C(=O)Nc3cccc(C)c3C)o2)c([N+](=O)[O-])c1
InChIInChI=1S/C20H18N2O5/c1-12-5-4-6-16(13(12)2)21-20(23)19-10-9-18(27-19)15-8-7-14(26-3)11-17(15)22(24)25/h4-11H,1-3H3,(H,21,23)
InChIKeyCWHJBJOWYGEDFM-UHFFFAOYSA-N
XLogP4.73
TPSA94.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 54.73
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-(2,3-dimethylphenyl)-5-(4-methoxy-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-(4-methoxy-2-nitrophenyl)-N-(2-methylphenyl)furan-2-carboxamide
CID 7465117
5-(4-methoxy-2-nitrophenyl)-N-(4-methoxyphenyl)furan-2-carboxamide
CID 7465119
N-(4-bromo-2-fluorophenyl)-5-(4-methoxy-2-nitrophenyl)furan-2-carboxamide
CID 43840683
N-(5-bromo-3-methyl-2-pyridinyl)-5-(4-methoxy-2-nitrophenyl)furan-2-carboxamide
CID 43840692
methyl 2-[[5-(4-methoxy-2-nitrophenyl)furan-2-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 43840710
N-(6-chloro-2-phenylbenzotriazol-5-yl)-5-(4-methoxy-2-nitrophenyl)furan-2-carboxamide
CID 17220321
5-(4-methoxy-2-nitrophenyl)furan-2-carbonyl chloride
CID 17274075
N-(4-methoxy-2-nitrophenyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 3588829
N-cyclopentyl-5-(4-methoxy-2-nitrophenyl)furan-2-carboxamide
CID 7465174
N-[2-(4-methoxyphenyl)ethyl]-5-(4-methyl-2-nitrophenyl)furan-2-carboxamide
CID 9150497
N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-5-(4-methoxy-2-nitrophenyl)furan-2-carboxamide
CID 43840707
5-(4-methyl-2-nitrophenyl)-N-[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]furan-2-carboxamide
CID 17312879

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-5-(4-methoxy-2-nitrophenyl)furan-2-carboxamide?
The IUPAC name of N-(2,3-dimethylphenyl)-5-(4-methoxy-2-nitrophenyl)furan-2-carboxamide (CID 43840667) is N-(2,3-dimethylphenyl)-5-(4-methoxy-2-nitrophenyl)furan-2-carboxamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-5-(4-methoxy-2-nitrophenyl)furan-2-carboxamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-5-(4-methoxy-2-nitrophenyl)furan-2-carboxamide is COc1ccc(-c2ccc(C(=O)Nc3cccc(C)c3C)o2)c([N+](=O)[O-])c1.
What is the InChIKey of N-(2,3-dimethylphenyl)-5-(4-methoxy-2-nitrophenyl)furan-2-carboxamide?
The InChIKey is CWHJBJOWYGEDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O5/c1-12-5-4-6-16(13(12)2)21-20(23)19-10-9-18(27-19)15-8-7-14(26-3)11-17(15)22(24)25/h4-11H,1-3H3,(H,21,23).
What are the key properties of N-(2,3-dimethylphenyl)-5-(4-methoxy-2-nitrophenyl)furan-2-carboxamide?
N-(2,3-dimethylphenyl)-5-(4-methoxy-2-nitrophenyl)furan-2-carboxamide has a molecular weight of 366.37 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-5-(4-methoxy-2-nitrophenyl)furan-2-carboxamide is sourced from PubChem (CID 43840667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).