ethyl 4-[[5-(2-nitrophenyl)furan-2-carbonyl]amino]benzoate

C20H16N2O6 — CID 1347194

IUPACethyl 4-[[5-(2-nitrophenyl)furan-2-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1
InChIInChI=1S/C20H16N2O6/c1-2-27-20(24)13-7-9-14(10-8-13)21-19(23)18-12-11-17(28-18)15-5-3-4-6-16(15)22(25)26/h3-12H,2H2,1H3,(H,21,23)
InChIKeyOTEMYYZMBHUIIC-UHFFFAOYSA-N
MW380.36 g/mol
LogP4.28
Rot. Bonds6

About ethyl 4-[[5-(2-nitrophenyl)furan-2-carbonyl]amino]benzoate

ethyl 4-[[5-(2-nitrophenyl)furan-2-carbonyl]amino]benzoate (PubChem CID 1347194) has the molecular formula C20H16N2O6 and a molecular weight of 380.36 g/mol. Its IUPAC name is ethyl 4-[[5-(2-nitrophenyl)furan-2-carbonyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[5-(2-nitrophenyl)furan-2-carbonyl]amino]benzoate
PubChem CID1347194
Molecular FormulaC20H16N2O6
Molecular Weight380.36 g/mol
Exact Mass380.10
IUPAC Nameethyl 4-[[5-(2-nitrophenyl)furan-2-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1
InChIInChI=1S/C20H16N2O6/c1-2-27-20(24)13-7-9-14(10-8-13)21-19(23)18-12-11-17(28-18)15-5-3-4-6-16(15)22(25)26/h3-12H,2H2,1H3,(H,21,23)
InChIKeyOTEMYYZMBHUIIC-UHFFFAOYSA-N
XLogP4.28
TPSA111.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.36
LogP ≤ 54.28
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'}

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Related Compounds

N-(4-acetamidophenyl)-5-(2-nitrophenyl)furan-2-carboxamide
CID 17426635
N-(4-butan-2-ylphenyl)-5-(2-nitrophenyl)furan-2-carboxamide
CID 23880882
5-(2-nitrophenyl)-N-(4-propan-2-ylphenyl)furan-2-carboxamide
CID 23877668
N-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-5-(2-nitrophenyl)furan-2-carboxamide
CID 1348898
ethyl 4-[(5-bromofuran-2-carbonyl)amino]benzoate
CID 703718
N-[2-chloro-5-(propanoylamino)phenyl]-5-(2-nitrophenyl)furan-2-carboxamide
CID 22776195
5-(4-methoxy-2-nitrophenyl)-N-(4-methoxyphenyl)furan-2-carboxamide
CID 7465119
N-[4-(4-benzylpiperazin-1-yl)phenyl]-5-(2-nitrophenyl)furan-2-carboxamide
CID 17118246
N-[4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]-5-(2-nitrophenyl)furan-2-carboxamide
CID 2953584
ethyl 4-[(4-nitrobenzoyl)amino]benzoate
CID 744546
ethyl 4-[(4-amino-3-nitrobenzoyl)amino]benzoate
CID 8885571
5-(2-nitrophenyl)-N-(2-phenylbenzotriazol-5-yl)furan-2-carboxamide
CID 17219688

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[5-(2-nitrophenyl)furan-2-carbonyl]amino]benzoate?
The IUPAC name of ethyl 4-[[5-(2-nitrophenyl)furan-2-carbonyl]amino]benzoate (CID 1347194) is ethyl 4-[[5-(2-nitrophenyl)furan-2-carbonyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[5-(2-nitrophenyl)furan-2-carbonyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[5-(2-nitrophenyl)furan-2-carbonyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1.
What is the InChIKey of ethyl 4-[[5-(2-nitrophenyl)furan-2-carbonyl]amino]benzoate?
The InChIKey is OTEMYYZMBHUIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O6/c1-2-27-20(24)13-7-9-14(10-8-13)21-19(23)18-12-11-17(28-18)15-5-3-4-6-16(15)22(25)26/h3-12H,2H2,1H3,(H,21,23).
What are the key properties of ethyl 4-[[5-(2-nitrophenyl)furan-2-carbonyl]amino]benzoate?
ethyl 4-[[5-(2-nitrophenyl)furan-2-carbonyl]amino]benzoate has a molecular weight of 380.36 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[5-(2-nitrophenyl)furan-2-carbonyl]amino]benzoate is sourced from PubChem (CID 1347194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).