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

C15H11Cl2N3O5 — CID 90512170

IUPACN-(2,5-dichlorophenyl)-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1Cl)C1CN(C(=O)c2ccc([N+](=O)[O-])o2)C1
InChIInChI=1S/C15H11Cl2N3O5/c16-9-1-2-10(17)11(5-9)18-14(21)8-6-19(7-8)15(22)12-3-4-13(25-12)20(23)24/h1-5,8H,6-7H2,(H,18,21)
InChIKeyCTUVGJFQEWAJMI-UHFFFAOYSA-N
MW384.18 g/mol
LogP3.21
Rot. Bonds4

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

N-(2,5-dichlorophenyl)-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide (PubChem CID 90512170) has the molecular formula C15H11Cl2N3O5 and a molecular weight of 384.18 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide
PubChem CID90512170
Molecular FormulaC15H11Cl2N3O5
Molecular Weight384.18 g/mol
Exact Mass383.01
IUPAC NameN-(2,5-dichlorophenyl)-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1Cl)C1CN(C(=O)c2ccc([N+](=O)[O-])o2)C1
InChIInChI=1S/C15H11Cl2N3O5/c16-9-1-2-10(17)11(5-9)18-14(21)8-6-19(7-8)15(22)12-3-4-13(25-12)20(23)24/h1-5,8H,6-7H2,(H,18,21)
InChIKeyCTUVGJFQEWAJMI-UHFFFAOYSA-N
XLogP3.21
TPSA105.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.18
LogP ≤ 53.21
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'}

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Related Compounds

1-(5-nitrofuran-2-carbonyl)-N-[2-(trifluoromethyl)phenyl]azetidine-3-carboxamide
CID 90512137
1-(5-nitrofuran-2-carbonyl)-N-(2-phenoxyphenyl)azetidine-3-carboxamide
CID 90512250
methyl 4-[[1-(5-nitrofuran-2-carbonyl)azetidine-3-carbonyl]amino]benzoate
CID 90512154
1-(5-nitrofuran-2-carbonyl)-N-pyridin-3-ylazetidine-3-carboxamide
CID 90512210
azocan-1-yl-(5-nitrofuran-2-yl)methanone
CID 3312856
1-(5-nitrofuran-2-carbonyl)-N-(oxolan-2-ylmethyl)azetidine-3-carboxamide
CID 90512076
1-(5-nitrofuran-2-carbonyl)-N-phenylpiperidine-4-carboxamide
CID 33089265
N-(2,5-dichlorophenyl)-1-methylsulfonylazetidine-3-carboxamide
CID 90513146
N-[2-(3-methoxyphenyl)ethyl]-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide
CID 90512234
N-(4-chloro-2-iodophenyl)-5-nitrofuran-2-carboxamide
CID 113257818
N-(2-bromo-4-chlorophenyl)-5-nitrofuran-2-carboxamide
CID 81028624
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-5-nitrofuran-2-carboxamide
CID 78772512

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide?
The IUPAC name of N-(2,5-dichlorophenyl)-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide (CID 90512170) is N-(2,5-dichlorophenyl)-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide is O=C(Nc1cc(Cl)ccc1Cl)C1CN(C(=O)c2ccc([N+](=O)[O-])o2)C1.
What is the InChIKey of N-(2,5-dichlorophenyl)-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide?
The InChIKey is CTUVGJFQEWAJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N3O5/c16-9-1-2-10(17)11(5-9)18-14(21)8-6-19(7-8)15(22)12-3-4-13(25-12)20(23)24/h1-5,8H,6-7H2,(H,18,21).
What are the key properties of N-(2,5-dichlorophenyl)-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide?
N-(2,5-dichlorophenyl)-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide has a molecular weight of 384.18 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide is sourced from PubChem (CID 90512170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).