1-(5-nitrofuran-2-carbonyl)-N-(2-phenoxyphenyl)azetidine-3-carboxamide

C21H17N3O6 — CID 90512250

IUPAC1-(5-nitrofuran-2-carbonyl)-N-(2-phenoxyphenyl)azetidine-3-carboxamide
SMILESO=C(Nc1ccccc1Oc1ccccc1)C1CN(C(=O)c2ccc([N+](=O)[O-])o2)C1
InChIInChI=1S/C21H17N3O6/c25-20(14-12-23(13-14)21(26)18-10-11-19(30-18)24(27)28)22-16-8-4-5-9-17(16)29-15-6-2-1-3-7-15/h1-11,14H,12-13H2,(H,22,25)
InChIKeyAXHIZNAHJUJUSM-UHFFFAOYSA-N
MW407.38 g/mol
LogP3.69
Rot. Bonds6

About 1-(5-nitrofuran-2-carbonyl)-N-(2-phenoxyphenyl)azetidine-3-carboxamide

1-(5-nitrofuran-2-carbonyl)-N-(2-phenoxyphenyl)azetidine-3-carboxamide (PubChem CID 90512250) has the molecular formula C21H17N3O6 and a molecular weight of 407.38 g/mol. Its IUPAC name is 1-(5-nitrofuran-2-carbonyl)-N-(2-phenoxyphenyl)azetidine-3-carboxamide.

Molecular Properties

Compound Name1-(5-nitrofuran-2-carbonyl)-N-(2-phenoxyphenyl)azetidine-3-carboxamide
PubChem CID90512250
Molecular FormulaC21H17N3O6
Molecular Weight407.38 g/mol
Exact Mass407.11
IUPAC Name1-(5-nitrofuran-2-carbonyl)-N-(2-phenoxyphenyl)azetidine-3-carboxamide
SMILESO=C(Nc1ccccc1Oc1ccccc1)C1CN(C(=O)c2ccc([N+](=O)[O-])o2)C1
InChIInChI=1S/C21H17N3O6/c25-20(14-12-23(13-14)21(26)18-10-11-19(30-18)24(27)28)22-16-8-4-5-9-17(16)29-15-6-2-1-3-7-15/h1-11,14H,12-13H2,(H,22,25)
InChIKeyAXHIZNAHJUJUSM-UHFFFAOYSA-N
XLogP3.69
TPSA114.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.38
LogP ≤ 53.69
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

1-(5-nitrofuran-2-carbonyl)-N-[2-(trifluoromethyl)phenyl]azetidine-3-carboxamide
CID 90512137
N-(2,5-dichlorophenyl)-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide
CID 90512170
1-(5-nitrofuran-2-carbonyl)-N-pyridin-3-ylazetidine-3-carboxamide
CID 90512210
1-(1,3-benzodioxole-5-carbonyl)-N-(2-phenoxyphenyl)azetidine-3-carboxamide
CID 90512913
methyl 4-[[1-(5-nitrofuran-2-carbonyl)azetidine-3-carbonyl]amino]benzoate
CID 90512154
1-(5-nitrofuran-2-carbonyl)-N-phenylpiperidine-4-carboxamide
CID 33089265
N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide
CID 90511972
N-[2-(3-methoxyphenyl)ethyl]-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide
CID 90512234
N-(furan-2-ylmethyl)-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide
CID 90512094
azocan-1-yl-(5-nitrofuran-2-yl)methanone
CID 3312856
N-benzyl-1-(5-nitrofuran-2-carbonyl)piperidine-4-carboxamide
CID 33097638
5-(4-nitrophenyl)-N-(2-phenoxyphenyl)furan-2-carboxamide
CID 9452991

Frequently Asked Questions

What is the IUPAC name of 1-(5-nitrofuran-2-carbonyl)-N-(2-phenoxyphenyl)azetidine-3-carboxamide?
The IUPAC name of 1-(5-nitrofuran-2-carbonyl)-N-(2-phenoxyphenyl)azetidine-3-carboxamide (CID 90512250) is 1-(5-nitrofuran-2-carbonyl)-N-(2-phenoxyphenyl)azetidine-3-carboxamide.
What is the SMILES notation for 1-(5-nitrofuran-2-carbonyl)-N-(2-phenoxyphenyl)azetidine-3-carboxamide?
The canonical SMILES for 1-(5-nitrofuran-2-carbonyl)-N-(2-phenoxyphenyl)azetidine-3-carboxamide is O=C(Nc1ccccc1Oc1ccccc1)C1CN(C(=O)c2ccc([N+](=O)[O-])o2)C1.
What is the InChIKey of 1-(5-nitrofuran-2-carbonyl)-N-(2-phenoxyphenyl)azetidine-3-carboxamide?
The InChIKey is AXHIZNAHJUJUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O6/c25-20(14-12-23(13-14)21(26)18-10-11-19(30-18)24(27)28)22-16-8-4-5-9-17(16)29-15-6-2-1-3-7-15/h1-11,14H,12-13H2,(H,22,25).
What are the key properties of 1-(5-nitrofuran-2-carbonyl)-N-(2-phenoxyphenyl)azetidine-3-carboxamide?
1-(5-nitrofuran-2-carbonyl)-N-(2-phenoxyphenyl)azetidine-3-carboxamide has a molecular weight of 407.38 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-nitrofuran-2-carbonyl)-N-(2-phenoxyphenyl)azetidine-3-carboxamide is sourced from PubChem (CID 90512250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).