N-(2-nitrophenyl)-1-phenylcyclopentane-1-carboxamide

C18H18N2O3 — CID 2877363

IUPACN-(2-nitrophenyl)-1-phenylcyclopentane-1-carboxamide
SMILESO=C(Nc1ccccc1[N+](=O)[O-])C1(c2ccccc2)CCCC1
InChIInChI=1S/C18H18N2O3/c21-17(19-15-10-4-5-11-16(15)20(22)23)18(12-6-7-13-18)14-8-2-1-3-9-14/h1-5,8-11H,6-7,12-13H2,(H,19,21)
InChIKeyXXNSUPRMNJNRQF-UHFFFAOYSA-N
MW310.35 g/mol
LogP4.05
Rot. Bonds4

About N-(2-nitrophenyl)-1-phenylcyclopentane-1-carboxamide

N-(2-nitrophenyl)-1-phenylcyclopentane-1-carboxamide (PubChem CID 2877363) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is N-(2-nitrophenyl)-1-phenylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(2-nitrophenyl)-1-phenylcyclopentane-1-carboxamide
PubChem CID2877363
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC NameN-(2-nitrophenyl)-1-phenylcyclopentane-1-carboxamide
SMILESO=C(Nc1ccccc1[N+](=O)[O-])C1(c2ccccc2)CCCC1
InChIInChI=1S/C18H18N2O3/c21-17(19-15-10-4-5-11-16(15)20(22)23)18(12-6-7-13-18)14-8-2-1-3-9-14/h1-5,8-11H,6-7,12-13H2,(H,19,21)
InChIKeyXXNSUPRMNJNRQF-UHFFFAOYSA-N
XLogP4.05
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 54.05
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'}

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Related Compounds

N-(2-methyl-3-nitrophenyl)-1-phenylcyclopropane-1-carboxamide
CID 43025525
1-cyano-N-(2-nitrophenyl)cyclopentane-1-carboxamide
CID 103604334
N-(3-nitrophenyl)-1-phenylcyclopentane-1-carboxamide
CID 1108208
(1S)-N-(2-nitrophenyl)-2,2-diphenylcyclopropane-1-carboxamide
CID 7070939
2-[1-(methylamino)cyclohexyl]-N-(2-nitrophenyl)acetamide
CID 65242627
N,N'-bis(2-nitrophenyl)propanediamide
CID 3819304
N-naphthalen-1-yl-1-phenylcyclobutane-1-carboxamide
CID 32618502
1-(4-bromophenyl)-N-[2-(2-nitroanilino)ethyl]cyclobutane-1-carboxamide
CID 33437651
1-phenyl-N-quinolin-8-ylcyclopentane-1-carboxamide
CID 17027296
N-(2-nitrophenyl)-3-propylpiperidine-3-carboxamide
CID 63130967
1-(4-nitrophenyl)-N-(2-phenoxyphenyl)cyclopropane-1-carboxamide
CID 100789159
N-(3-nitrophenyl)-1-phenylcyclopropane-1-carboxamide
CID 16558552

Frequently Asked Questions

What is the IUPAC name of N-(2-nitrophenyl)-1-phenylcyclopentane-1-carboxamide?
The IUPAC name of N-(2-nitrophenyl)-1-phenylcyclopentane-1-carboxamide (CID 2877363) is N-(2-nitrophenyl)-1-phenylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(2-nitrophenyl)-1-phenylcyclopentane-1-carboxamide?
The canonical SMILES for N-(2-nitrophenyl)-1-phenylcyclopentane-1-carboxamide is O=C(Nc1ccccc1[N+](=O)[O-])C1(c2ccccc2)CCCC1.
What is the InChIKey of N-(2-nitrophenyl)-1-phenylcyclopentane-1-carboxamide?
The InChIKey is XXNSUPRMNJNRQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c21-17(19-15-10-4-5-11-16(15)20(22)23)18(12-6-7-13-18)14-8-2-1-3-9-14/h1-5,8-11H,6-7,12-13H2,(H,19,21).
What are the key properties of N-(2-nitrophenyl)-1-phenylcyclopentane-1-carboxamide?
N-(2-nitrophenyl)-1-phenylcyclopentane-1-carboxamide has a molecular weight of 310.35 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-nitrophenyl)-1-phenylcyclopentane-1-carboxamide is sourced from PubChem (CID 2877363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).