5-(4-chloro-2-nitrophenyl)-N-(2-ethylphenyl)-2-methylfuran-3-carboxamide

C20H17ClN2O4 — CID 7464341

IUPAC5-(4-chloro-2-nitrophenyl)-N-(2-ethylphenyl)-2-methylfuran-3-carboxamide
SMILESCCc1ccccc1NC(=O)c1cc(-c2ccc(Cl)cc2[N+](=O)[O-])oc1C
InChIInChI=1S/C20H17ClN2O4/c1-3-13-6-4-5-7-17(13)22-20(24)16-11-19(27-12(16)2)15-9-8-14(21)10-18(15)23(25)26/h4-11H,3H2,1-2H3,(H,22,24)
InChIKeyAIBPLTNEIROPIG-UHFFFAOYSA-N
MW384.82 g/mol
LogP5.63
Rot. Bonds5

About 5-(4-chloro-2-nitrophenyl)-N-(2-ethylphenyl)-2-methylfuran-3-carboxamide

5-(4-chloro-2-nitrophenyl)-N-(2-ethylphenyl)-2-methylfuran-3-carboxamide (PubChem CID 7464341) has the molecular formula C20H17ClN2O4 and a molecular weight of 384.82 g/mol. Its IUPAC name is 5-(4-chloro-2-nitrophenyl)-N-(2-ethylphenyl)-2-methylfuran-3-carboxamide.

Molecular Properties

Compound Name5-(4-chloro-2-nitrophenyl)-N-(2-ethylphenyl)-2-methylfuran-3-carboxamide
PubChem CID7464341
Molecular FormulaC20H17ClN2O4
Molecular Weight384.82 g/mol
Exact Mass384.09
IUPAC Name5-(4-chloro-2-nitrophenyl)-N-(2-ethylphenyl)-2-methylfuran-3-carboxamide
SMILESCCc1ccccc1NC(=O)c1cc(-c2ccc(Cl)cc2[N+](=O)[O-])oc1C
InChIInChI=1S/C20H17ClN2O4/c1-3-13-6-4-5-7-17(13)22-20(24)16-11-19(27-12(16)2)15-9-8-14(21)10-18(15)23(25)26/h4-11H,3H2,1-2H3,(H,22,24)
InChIKeyAIBPLTNEIROPIG-UHFFFAOYSA-N
XLogP5.63
TPSA85.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.82
LogP ≤ 55.63
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-(4-chloro-2-nitrophenyl)-2-methylfuran-3-carboxylic acid
CID 17015024
4-chloro-N-(2,6-diethylphenyl)-2-nitrobenzamide
CID 3319431
N-(2-cyanophenyl)-5-(2,4-dichlorophenyl)-2-methylfuran-3-carboxamide
CID 7464368
N-[2-(2-amino-2-oxoethyl)phenyl]-4-chloro-2-nitrobenzamide
CID 47037281
5-chloro-N-(2-methylphenyl)-2-nitrobenzamide
CID 2599162
N-(2-ethylphenyl)-2,4-dinitrobenzamide
CID 4582085
N-(2-chlorophenyl)-5-(4-chlorophenyl)-2-methylfuran-3-carboxamide
CID 2742801
N-(2-ethylphenyl)-5-methylsulfanyl-2-nitrobenzamide
CID 27895530
[2-(5-chloro-2-nitroanilino)-2-oxoethyl]-[2-(2-ethylanilino)-2-oxoethyl]-methylazanium
CID 9304248
2-(4-chloro-2-nitrophenyl)-5-ethylfuran
CID 121010413
5-(4-chloro-2-nitrophenyl)-N-phenylfuran-2-carboxamide
CID 2986929
ethyl 2-[[5-(4-chlorophenyl)-2-methylfuran-3-carbonyl]amino]benzoate
CID 16651463

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-2-nitrophenyl)-N-(2-ethylphenyl)-2-methylfuran-3-carboxamide?
The IUPAC name of 5-(4-chloro-2-nitrophenyl)-N-(2-ethylphenyl)-2-methylfuran-3-carboxamide (CID 7464341) is 5-(4-chloro-2-nitrophenyl)-N-(2-ethylphenyl)-2-methylfuran-3-carboxamide.
What is the SMILES notation for 5-(4-chloro-2-nitrophenyl)-N-(2-ethylphenyl)-2-methylfuran-3-carboxamide?
The canonical SMILES for 5-(4-chloro-2-nitrophenyl)-N-(2-ethylphenyl)-2-methylfuran-3-carboxamide is CCc1ccccc1NC(=O)c1cc(-c2ccc(Cl)cc2[N+](=O)[O-])oc1C.
What is the InChIKey of 5-(4-chloro-2-nitrophenyl)-N-(2-ethylphenyl)-2-methylfuran-3-carboxamide?
The InChIKey is AIBPLTNEIROPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O4/c1-3-13-6-4-5-7-17(13)22-20(24)16-11-19(27-12(16)2)15-9-8-14(21)10-18(15)23(25)26/h4-11H,3H2,1-2H3,(H,22,24).
What are the key properties of 5-(4-chloro-2-nitrophenyl)-N-(2-ethylphenyl)-2-methylfuran-3-carboxamide?
5-(4-chloro-2-nitrophenyl)-N-(2-ethylphenyl)-2-methylfuran-3-carboxamide has a molecular weight of 384.82 g/mol, XLogP of 5.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-2-nitrophenyl)-N-(2-ethylphenyl)-2-methylfuran-3-carboxamide is sourced from PubChem (CID 7464341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).