N-(3-nitrophenyl)-1-(4-nitrophenyl)cyclopentane-1-carboxamide

C18H17N3O5 — CID 3120388

IUPACN-(3-nitrophenyl)-1-(4-nitrophenyl)cyclopentane-1-carboxamide
SMILESO=C(Nc1cccc([N+](=O)[O-])c1)C1(c2ccc([N+](=O)[O-])cc2)CCCC1
InChIInChI=1S/C18H17N3O5/c22-17(19-14-4-3-5-16(12-14)21(25)26)18(10-1-2-11-18)13-6-8-15(9-7-13)20(23)24/h3-9,12H,1-2,10-11H2,(H,19,22)
InChIKeyODKQPKFCUULVHD-UHFFFAOYSA-N
MW355.35 g/mol
LogP3.95
Rot. Bonds5

About N-(3-nitrophenyl)-1-(4-nitrophenyl)cyclopentane-1-carboxamide

N-(3-nitrophenyl)-1-(4-nitrophenyl)cyclopentane-1-carboxamide (PubChem CID 3120388) has the molecular formula C18H17N3O5 and a molecular weight of 355.35 g/mol. Its IUPAC name is N-(3-nitrophenyl)-1-(4-nitrophenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(3-nitrophenyl)-1-(4-nitrophenyl)cyclopentane-1-carboxamide
PubChem CID3120388
Molecular FormulaC18H17N3O5
Molecular Weight355.35 g/mol
Exact Mass355.12
IUPAC NameN-(3-nitrophenyl)-1-(4-nitrophenyl)cyclopentane-1-carboxamide
SMILESO=C(Nc1cccc([N+](=O)[O-])c1)C1(c2ccc([N+](=O)[O-])cc2)CCCC1
InChIInChI=1S/C18H17N3O5/c22-17(19-14-4-3-5-16(12-14)21(25)26)18(10-1-2-11-18)13-6-8-15(9-7-13)20(23)24/h3-9,12H,1-2,10-11H2,(H,19,22)
InChIKeyODKQPKFCUULVHD-UHFFFAOYSA-N
XLogP3.95
TPSA115.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 53.95
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

N-(3-nitrophenyl)-1-phenylcyclopentane-1-carboxamide
CID 1108208
N-(3-nitrophenyl)-1-phenylcyclopropane-1-carboxamide
CID 16558552
N-[3-[[1-(4-nitrophenyl)cyclopentanecarbonyl]amino]phenyl]furan-2-carboxamide
CID 17148146
1-cyano-N-(3-nitrophenyl)cyclopentane-1-carboxamide
CID 55021433
1-(aminomethyl)-N-(3-nitrophenyl)cyclopentane-1-carboxamide
CID 81485238
1-[(3-nitrophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62095390
N-(4-methoxyphenyl)-1-[4-[[2-(4-nitrophenyl)acetyl]amino]phenyl]cyclopentane-1-carboxamide
CID 2958215
N-(3-methyl-4-propoxyphenyl)-1-(4-nitrophenyl)cyclopentane-1-carboxamide
CID 100659685
N-(3-nitrophenyl)-4-[3-(trifluoromethyl)phenyl]oxane-4-carboxamide
CID 60567198
1-[(3-nitrophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 43341699
methyl 2-ethoxy-5-[[1-(4-nitrophenyl)cyclohexanecarbonyl]amino]benzoate
CID 100744886
1-(4-nitrophenyl)-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide
CID 100789042

Frequently Asked Questions

What is the IUPAC name of N-(3-nitrophenyl)-1-(4-nitrophenyl)cyclopentane-1-carboxamide?
The IUPAC name of N-(3-nitrophenyl)-1-(4-nitrophenyl)cyclopentane-1-carboxamide (CID 3120388) is N-(3-nitrophenyl)-1-(4-nitrophenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for N-(3-nitrophenyl)-1-(4-nitrophenyl)cyclopentane-1-carboxamide?
The canonical SMILES for N-(3-nitrophenyl)-1-(4-nitrophenyl)cyclopentane-1-carboxamide is O=C(Nc1cccc([N+](=O)[O-])c1)C1(c2ccc([N+](=O)[O-])cc2)CCCC1.
What is the InChIKey of N-(3-nitrophenyl)-1-(4-nitrophenyl)cyclopentane-1-carboxamide?
The InChIKey is ODKQPKFCUULVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O5/c22-17(19-14-4-3-5-16(12-14)21(25)26)18(10-1-2-11-18)13-6-8-15(9-7-13)20(23)24/h3-9,12H,1-2,10-11H2,(H,19,22).
What are the key properties of N-(3-nitrophenyl)-1-(4-nitrophenyl)cyclopentane-1-carboxamide?
N-(3-nitrophenyl)-1-(4-nitrophenyl)cyclopentane-1-carboxamide has a molecular weight of 355.35 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-nitrophenyl)-1-(4-nitrophenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 3120388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).