5-(2-chloro-4-nitrophenyl)-N-(4-ethylphenyl)furan-2-carboxamide

C19H15ClN2O4 — CID 1307127

IUPAC5-(2-chloro-4-nitrophenyl)-N-(4-ethylphenyl)furan-2-carboxamide
SMILESCCc1ccc(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc1
InChIInChI=1S/C19H15ClN2O4/c1-2-12-3-5-13(6-4-12)21-19(23)18-10-9-17(26-18)15-8-7-14(22(24)25)11-16(15)20/h3-11H,2H2,1H3,(H,21,23)
InChIKeySYEBYGIBYBOIMJ-UHFFFAOYSA-N
MW370.79 g/mol
LogP5.32
Rot. Bonds5

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

5-(2-chloro-4-nitrophenyl)-N-(4-ethylphenyl)furan-2-carboxamide (PubChem CID 1307127) has the molecular formula C19H15ClN2O4 and a molecular weight of 370.79 g/mol. Its IUPAC name is 5-(2-chloro-4-nitrophenyl)-N-(4-ethylphenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(2-chloro-4-nitrophenyl)-N-(4-ethylphenyl)furan-2-carboxamide
PubChem CID1307127
Molecular FormulaC19H15ClN2O4
Molecular Weight370.79 g/mol
Exact Mass370.07
IUPAC Name5-(2-chloro-4-nitrophenyl)-N-(4-ethylphenyl)furan-2-carboxamide
SMILESCCc1ccc(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc1
InChIInChI=1S/C19H15ClN2O4/c1-2-12-3-5-13(6-4-12)21-19(23)18-10-9-17(26-18)15-8-7-14(22(24)25)11-16(15)20/h3-11H,2H2,1H3,(H,21,23)
InChIKeySYEBYGIBYBOIMJ-UHFFFAOYSA-N
XLogP5.32
TPSA85.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.79
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(2-chloro-4-nitrophenyl)-N'-(4-ethylbenzoyl)furan-2-carbohydrazide
CID 9088085
N-(4-ethylphenyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 940023
N-(3,4-dichlorophenyl)-5-(2-methyl-4-nitrophenyl)furan-2-carboxamide
CID 1123621
5-(2,3-dichlorophenyl)-N-(4-nitrophenyl)furan-2-carboxamide
CID 2914733
5-(2-ethyl-4-nitrophenyl)furan-2-carbohydrazide
CID 91681056
5-(2-chlorophenyl)-N-(3-nitrophenyl)furan-2-carboxamide
CID 945636
5-(2-chloro-4-nitrophenyl)-N-(4-methylpiperazin-1-yl)furan-2-carboxamide
CID 9075068
5-(2-chloro-4-nitrophenyl)-N-[(3,4-dimethoxyphenyl)methyl]furan-2-carboxamide
CID 9082489
5-(2-chloro-4-nitrophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]furan-2-carboxamide
CID 1424128
5-(2-chloro-4-nitrophenyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]furan-2-carboxamide
CID 9089410
5-[(2-chloro-4-nitrophenoxy)methyl]-N-(4-nitrophenyl)furan-2-carboxamide
CID 19461760
5-(2-chlorophenyl)-N-[(4-nitrophenyl)carbamothioyl]furan-2-carboxamide
CID 10668776

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-4-nitrophenyl)-N-(4-ethylphenyl)furan-2-carboxamide?
The IUPAC name of 5-(2-chloro-4-nitrophenyl)-N-(4-ethylphenyl)furan-2-carboxamide (CID 1307127) is 5-(2-chloro-4-nitrophenyl)-N-(4-ethylphenyl)furan-2-carboxamide.
What is the SMILES notation for 5-(2-chloro-4-nitrophenyl)-N-(4-ethylphenyl)furan-2-carboxamide?
The canonical SMILES for 5-(2-chloro-4-nitrophenyl)-N-(4-ethylphenyl)furan-2-carboxamide is CCc1ccc(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc1.
What is the InChIKey of 5-(2-chloro-4-nitrophenyl)-N-(4-ethylphenyl)furan-2-carboxamide?
The InChIKey is SYEBYGIBYBOIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O4/c1-2-12-3-5-13(6-4-12)21-19(23)18-10-9-17(26-18)15-8-7-14(22(24)25)11-16(15)20/h3-11H,2H2,1H3,(H,21,23).
What are the key properties of 5-(2-chloro-4-nitrophenyl)-N-(4-ethylphenyl)furan-2-carboxamide?
5-(2-chloro-4-nitrophenyl)-N-(4-ethylphenyl)furan-2-carboxamide has a molecular weight of 370.79 g/mol, XLogP of 5.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-4-nitrophenyl)-N-(4-ethylphenyl)furan-2-carboxamide is sourced from PubChem (CID 1307127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).