N-(4-methylphenyl)-1-(4-nitrophenyl)cyclopentane-1-carboxamide

C19H20N2O3 — CID 969623

IUPACN-(4-methylphenyl)-1-(4-nitrophenyl)cyclopentane-1-carboxamide
SMILESCc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)cc1
InChIInChI=1S/C19H20N2O3/c1-14-4-8-16(9-5-14)20-18(22)19(12-2-3-13-19)15-6-10-17(11-7-15)21(23)24/h4-11H,2-3,12-13H2,1H3,(H,20,22)
InChIKeyOFQYLXJMJJGXHQ-UHFFFAOYSA-N
MW324.38 g/mol
LogP4.35
Rot. Bonds4

About N-(4-methylphenyl)-1-(4-nitrophenyl)cyclopentane-1-carboxamide

N-(4-methylphenyl)-1-(4-nitrophenyl)cyclopentane-1-carboxamide (PubChem CID 969623) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-(4-methylphenyl)-1-(4-nitrophenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-1-(4-nitrophenyl)cyclopentane-1-carboxamide
PubChem CID969623
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC NameN-(4-methylphenyl)-1-(4-nitrophenyl)cyclopentane-1-carboxamide
SMILESCc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)cc1
InChIInChI=1S/C19H20N2O3/c1-14-4-8-16(9-5-14)20-18(22)19(12-2-3-13-19)15-6-10-17(11-7-15)21(23)24/h4-11H,2-3,12-13H2,1H3,(H,20,22)
InChIKeyOFQYLXJMJJGXHQ-UHFFFAOYSA-N
XLogP4.35
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(4-methylphenyl)-1-(4-nitrophenyl)cyclopentane-1-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-1-(4-nitrophenyl)cyclopentane-1-carboxamide?
The IUPAC name of N-(4-methylphenyl)-1-(4-nitrophenyl)cyclopentane-1-carboxamide (CID 969623) is N-(4-methylphenyl)-1-(4-nitrophenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-1-(4-nitrophenyl)cyclopentane-1-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-1-(4-nitrophenyl)cyclopentane-1-carboxamide is Cc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)cc1.
What is the InChIKey of N-(4-methylphenyl)-1-(4-nitrophenyl)cyclopentane-1-carboxamide?
The InChIKey is OFQYLXJMJJGXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-14-4-8-16(9-5-14)20-18(22)19(12-2-3-13-19)15-6-10-17(11-7-15)21(23)24/h4-11H,2-3,12-13H2,1H3,(H,20,22).
What are the key properties of N-(4-methylphenyl)-1-(4-nitrophenyl)cyclopentane-1-carboxamide?
N-(4-methylphenyl)-1-(4-nitrophenyl)cyclopentane-1-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-1-(4-nitrophenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 969623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).