4-(4-chloro-2-nitrophenoxy)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]benzamide

C21H19ClN4O5 — CID 55537461

IUPAC4-(4-chloro-2-nitrophenoxy)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]benzamide
SMILESCc1nc(C2(NC(=O)c3ccc(Oc4ccc(Cl)cc4[N+](=O)[O-])cc3)CCCC2)no1
InChIInChI=1S/C21H19ClN4O5/c1-13-23-20(25-31-13)21(10-2-3-11-21)24-19(27)14-4-7-16(8-5-14)30-18-9-6-15(22)12-17(18)26(28)29/h4-9,12H,2-3,10-11H2,1H3,(H,24,27)
InChIKeyFFSMXDOWFHZCDM-UHFFFAOYSA-N
MW442.86 g/mol
LogP4.93
Rot. Bonds6

About 4-(4-chloro-2-nitrophenoxy)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]benzamide

4-(4-chloro-2-nitrophenoxy)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]benzamide (PubChem CID 55537461) has the molecular formula C21H19ClN4O5 and a molecular weight of 442.86 g/mol. Its IUPAC name is 4-(4-chloro-2-nitrophenoxy)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]benzamide.

Molecular Properties

Compound Name4-(4-chloro-2-nitrophenoxy)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]benzamide
PubChem CID55537461
Molecular FormulaC21H19ClN4O5
Molecular Weight442.86 g/mol
Exact Mass442.10
IUPAC Name4-(4-chloro-2-nitrophenoxy)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]benzamide
SMILESCc1nc(C2(NC(=O)c3ccc(Oc4ccc(Cl)cc4[N+](=O)[O-])cc3)CCCC2)no1
InChIInChI=1S/C21H19ClN4O5/c1-13-23-20(25-31-13)21(10-2-3-11-21)24-19(27)14-4-7-16(8-5-14)30-18-9-6-15(22)12-17(18)26(28)29/h4-9,12H,2-3,10-11H2,1H3,(H,24,27)
InChIKeyFFSMXDOWFHZCDM-UHFFFAOYSA-N
XLogP4.93
TPSA120.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.86
LogP ≤ 54.93
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'}

Analyze 4-(4-chloro-2-nitrophenoxy)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-fluoro-4-methoxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]benzamide
CID 31164048
N'-[4-(4-chloro-2-nitrophenoxy)benzoyl]-2,5-dimethylfuran-3-carbohydrazide
CID 26820570
4-iodo-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]benzamide
CID 55622264
2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]acetamide
CID 46686824
4-(4-chloro-2-nitrophenoxy)-N-(2-hydroxyethyl)benzamide
CID 78783374
4-(4-chloro-2-nitrophenoxy)benzamide
CID 9108833
methyl 6-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]carbamoyl]pyridine-3-carboxylate
CID 60559915
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 55537901
[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-3-nitrophenyl]-phenylmethanone
CID 18197474
6-methyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide
CID 55672280
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-4-(methylsulfanylmethyl)benzamide
CID 55622314
N'-[4-(4-chloro-2-nitrophenoxy)benzoyl]furan-2-carbohydrazide
CID 9476412

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-nitrophenoxy)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]benzamide?
The IUPAC name of 4-(4-chloro-2-nitrophenoxy)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]benzamide (CID 55537461) is 4-(4-chloro-2-nitrophenoxy)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]benzamide.
What is the SMILES notation for 4-(4-chloro-2-nitrophenoxy)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]benzamide?
The canonical SMILES for 4-(4-chloro-2-nitrophenoxy)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]benzamide is Cc1nc(C2(NC(=O)c3ccc(Oc4ccc(Cl)cc4[N+](=O)[O-])cc3)CCCC2)no1.
What is the InChIKey of 4-(4-chloro-2-nitrophenoxy)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]benzamide?
The InChIKey is FFSMXDOWFHZCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O5/c1-13-23-20(25-31-13)21(10-2-3-11-21)24-19(27)14-4-7-16(8-5-14)30-18-9-6-15(22)12-17(18)26(28)29/h4-9,12H,2-3,10-11H2,1H3,(H,24,27).
What are the key properties of 4-(4-chloro-2-nitrophenoxy)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]benzamide?
4-(4-chloro-2-nitrophenoxy)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]benzamide has a molecular weight of 442.86 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-nitrophenoxy)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]benzamide is sourced from PubChem (CID 55537461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).