N-[(1R,2R)-2-(2-chlorophenyl)cyclobutyl]-2-nitrobenzamide

C17H15ClN2O3 — CID 125464819

IUPACN-[(1R,2R)-2-(2-chlorophenyl)cyclobutyl]-2-nitrobenzamide
SMILESO=C(N[C@@H]1CC[C@@H]1c1ccccc1Cl)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C17H15ClN2O3/c18-14-7-3-1-5-11(14)12-9-10-15(12)19-17(21)13-6-2-4-8-16(13)20(22)23/h1-8,12,15H,9-10H2,(H,19,21)/t12-,15-/m1/s1
InChIKeyCNZSFDUWVXVXTI-IUODEOHRSA-N
MW330.77 g/mol
LogP3.92
Rot. Bonds4

About N-[(1R,2R)-2-(2-chlorophenyl)cyclobutyl]-2-nitrobenzamide

N-[(1R,2R)-2-(2-chlorophenyl)cyclobutyl]-2-nitrobenzamide (PubChem CID 125464819) has the molecular formula C17H15ClN2O3 and a molecular weight of 330.77 g/mol. Its IUPAC name is N-[(1R,2R)-2-(2-chlorophenyl)cyclobutyl]-2-nitrobenzamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-(2-chlorophenyl)cyclobutyl]-2-nitrobenzamide
PubChem CID125464819
Molecular FormulaC17H15ClN2O3
Molecular Weight330.77 g/mol
Exact Mass330.08
IUPAC NameN-[(1R,2R)-2-(2-chlorophenyl)cyclobutyl]-2-nitrobenzamide
SMILESO=C(N[C@@H]1CC[C@@H]1c1ccccc1Cl)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C17H15ClN2O3/c18-14-7-3-1-5-11(14)12-9-10-15(12)19-17(21)13-6-2-4-8-16(13)20(22)23/h1-8,12,15H,9-10H2,(H,19,21)/t12-,15-/m1/s1
InChIKeyCNZSFDUWVXVXTI-IUODEOHRSA-N
XLogP3.92
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.77
LogP ≤ 53.92
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-bromocyclopentyl)-2-nitrobenzamide
CID 80663029
2-chloro-N-[(1S,2R)-2-(2-chlorophenyl)cyclopentyl]pyridine-3-carboxamide
CID 125491090
2-chloro-N-[(1R,2R)-2-(2-chlorophenyl)cyclohexyl]pyridine-3-carboxamide
CID 125490711
N-[2-(hydroxymethyl)cyclopentyl]-2-nitrobenzamide
CID 103751348
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-nitrobenzamide
CID 110906535
N-(4-isocyanocyclohexyl)-2-nitrobenzamide
CID 123970448
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-nitrobenzamide
CID 61237722
2-chloro-N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]benzamide
CID 110125116
2,6-dichloro-N-[(1S,2S)-2-(2,4-dichlorophenyl)cyclobutyl]benzamide
CID 121377181
2-chloro-N-(2-hydroxycyclohexyl)-6-nitrobenzamide
CID 63658597
2-nitro-N-(2,4,5-trichlorophenyl)benzamide
CID 711434
2-chloro-N-cyclooctyl-3-nitrobenzamide
CID 115930862

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-(2-chlorophenyl)cyclobutyl]-2-nitrobenzamide?
The IUPAC name of N-[(1R,2R)-2-(2-chlorophenyl)cyclobutyl]-2-nitrobenzamide (CID 125464819) is N-[(1R,2R)-2-(2-chlorophenyl)cyclobutyl]-2-nitrobenzamide.
What is the SMILES notation for N-[(1R,2R)-2-(2-chlorophenyl)cyclobutyl]-2-nitrobenzamide?
The canonical SMILES for N-[(1R,2R)-2-(2-chlorophenyl)cyclobutyl]-2-nitrobenzamide is O=C(N[C@@H]1CC[C@@H]1c1ccccc1Cl)c1ccccc1[N+](=O)[O-].
What is the InChIKey of N-[(1R,2R)-2-(2-chlorophenyl)cyclobutyl]-2-nitrobenzamide?
The InChIKey is CNZSFDUWVXVXTI-IUODEOHRSA-N. The full InChI is InChI=1S/C17H15ClN2O3/c18-14-7-3-1-5-11(14)12-9-10-15(12)19-17(21)13-6-2-4-8-16(13)20(22)23/h1-8,12,15H,9-10H2,(H,19,21)/t12-,15-/m1/s1.
What are the key properties of N-[(1R,2R)-2-(2-chlorophenyl)cyclobutyl]-2-nitrobenzamide?
N-[(1R,2R)-2-(2-chlorophenyl)cyclobutyl]-2-nitrobenzamide has a molecular weight of 330.77 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-(2-chlorophenyl)cyclobutyl]-2-nitrobenzamide is sourced from PubChem (CID 125464819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).