N-cyclopentyl-2,3-dimethoxy-5-(4-nitroimidazol-1-yl)benzamide

C17H20N4O5 — CID 137363041

IUPACN-cyclopentyl-2,3-dimethoxy-5-(4-nitroimidazol-1-yl)benzamide
SMILESCOc1cc(-n2cnc([N+](=O)[O-])c2)cc(C(=O)NC2CCCC2)c1OC
InChIInChI=1S/C17H20N4O5/c1-25-14-8-12(20-9-15(18-10-20)21(23)24)7-13(16(14)26-2)17(22)19-11-5-3-4-6-11/h7-11H,3-6H2,1-2H3,(H,19,22)
InChIKeyAWTQPCNRLZUFBR-UHFFFAOYSA-N
MW360.37 g/mol
LogP2.47
Rot. Bonds6

About N-cyclopentyl-2,3-dimethoxy-5-(4-nitroimidazol-1-yl)benzamide

N-cyclopentyl-2,3-dimethoxy-5-(4-nitroimidazol-1-yl)benzamide (PubChem CID 137363041) has the molecular formula C17H20N4O5 and a molecular weight of 360.37 g/mol. Its IUPAC name is N-cyclopentyl-2,3-dimethoxy-5-(4-nitroimidazol-1-yl)benzamide.

Molecular Properties

Compound NameN-cyclopentyl-2,3-dimethoxy-5-(4-nitroimidazol-1-yl)benzamide
PubChem CID137363041
Molecular FormulaC17H20N4O5
Molecular Weight360.37 g/mol
Exact Mass360.14
IUPAC NameN-cyclopentyl-2,3-dimethoxy-5-(4-nitroimidazol-1-yl)benzamide
SMILESCOc1cc(-n2cnc([N+](=O)[O-])c2)cc(C(=O)NC2CCCC2)c1OC
InChIInChI=1S/C17H20N4O5/c1-25-14-8-12(20-9-15(18-10-20)21(23)24)7-13(16(14)26-2)17(22)19-11-5-3-4-6-11/h7-11H,3-6H2,1-2H3,(H,19,22)
InChIKeyAWTQPCNRLZUFBR-UHFFFAOYSA-N
XLogP2.47
TPSA108.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2,3-dimethoxy-5-(4-nitroimidazol-1-yl)benzamide?
The IUPAC name of N-cyclopentyl-2,3-dimethoxy-5-(4-nitroimidazol-1-yl)benzamide (CID 137363041) is N-cyclopentyl-2,3-dimethoxy-5-(4-nitroimidazol-1-yl)benzamide.
What is the SMILES notation for N-cyclopentyl-2,3-dimethoxy-5-(4-nitroimidazol-1-yl)benzamide?
The canonical SMILES for N-cyclopentyl-2,3-dimethoxy-5-(4-nitroimidazol-1-yl)benzamide is COc1cc(-n2cnc([N+](=O)[O-])c2)cc(C(=O)NC2CCCC2)c1OC.
What is the InChIKey of N-cyclopentyl-2,3-dimethoxy-5-(4-nitroimidazol-1-yl)benzamide?
The InChIKey is AWTQPCNRLZUFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O5/c1-25-14-8-12(20-9-15(18-10-20)21(23)24)7-13(16(14)26-2)17(22)19-11-5-3-4-6-11/h7-11H,3-6H2,1-2H3,(H,19,22).
What are the key properties of N-cyclopentyl-2,3-dimethoxy-5-(4-nitroimidazol-1-yl)benzamide?
N-cyclopentyl-2,3-dimethoxy-5-(4-nitroimidazol-1-yl)benzamide has a molecular weight of 360.37 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2,3-dimethoxy-5-(4-nitroimidazol-1-yl)benzamide is sourced from PubChem (CID 137363041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).