N-[(1S,2S)-2-hydroxycyclopentyl]-4-nitrobenzamide

C12H14N2O4 — CID 95562447

IUPACN-[(1S,2S)-2-hydroxycyclopentyl]-4-nitrobenzamide
SMILESO=C(N[C@H]1CCC[C@@H]1O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C12H14N2O4/c15-11-3-1-2-10(11)13-12(16)8-4-6-9(7-5-8)14(17)18/h4-7,10-11,15H,1-3H2,(H,13,16)/t10-,11-/m0/s1
InChIKeyAURNBJUNLCGYMJ-QWRGUYRKSA-N
MW250.25 g/mol
LogP1.24
Rot. Bonds3

About N-[(1S,2S)-2-hydroxycyclopentyl]-4-nitrobenzamide

N-[(1S,2S)-2-hydroxycyclopentyl]-4-nitrobenzamide (PubChem CID 95562447) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is N-[(1S,2S)-2-hydroxycyclopentyl]-4-nitrobenzamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-hydroxycyclopentyl]-4-nitrobenzamide
PubChem CID95562447
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC NameN-[(1S,2S)-2-hydroxycyclopentyl]-4-nitrobenzamide
SMILESO=C(N[C@H]1CCC[C@@H]1O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C12H14N2O4/c15-11-3-1-2-10(11)13-12(16)8-4-6-9(7-5-8)14(17)18/h4-7,10-11,15H,1-3H2,(H,13,16)/t10-,11-/m0/s1
InChIKeyAURNBJUNLCGYMJ-QWRGUYRKSA-N
XLogP1.24
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(2,3-dimethylcyclohexyl)-4-nitrobenzamide
CID 3684866
N-[(1R,2R)-2-(dimethylamino)cyclohexyl]-4-nitrobenzamide
CID 54037439
N-cyclododecyl-4-nitrobenzamide
CID 19168070
4-chloro-N-(2-hydroxycyclopentyl)benzamide
CID 14967652
N-[(1R,2R)-2-hydroxycyclopentyl]benzamide
CID 36691439
3-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-5-nitrobenzamide
CID 104957240
N-[2-[2-(hydroxyamino)-2-oxoethyl]cyclohexyl]-4-nitrobenzamide
CID 22344770
N-(2-hydroxycyclopentyl)-2-(4-nitrophenyl)sulfanylbenzamide
CID 16666926
N-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]-4-nitrobenzamide
CID 11630293
3-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-4-nitrobenzamide
CID 104957120
N-(2-hydroxycyclohexyl)-2-methyl-5-nitrobenzamide
CID 62361086
N-[(1R,2R)-2-azidocycloheptyl]-4-nitrobenzamide
CID 102037484

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-hydroxycyclopentyl]-4-nitrobenzamide?
The IUPAC name of N-[(1S,2S)-2-hydroxycyclopentyl]-4-nitrobenzamide (CID 95562447) is N-[(1S,2S)-2-hydroxycyclopentyl]-4-nitrobenzamide.
What is the SMILES notation for N-[(1S,2S)-2-hydroxycyclopentyl]-4-nitrobenzamide?
The canonical SMILES for N-[(1S,2S)-2-hydroxycyclopentyl]-4-nitrobenzamide is O=C(N[C@H]1CCC[C@@H]1O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[(1S,2S)-2-hydroxycyclopentyl]-4-nitrobenzamide?
The InChIKey is AURNBJUNLCGYMJ-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H14N2O4/c15-11-3-1-2-10(11)13-12(16)8-4-6-9(7-5-8)14(17)18/h4-7,10-11,15H,1-3H2,(H,13,16)/t10-,11-/m0/s1.
What are the key properties of N-[(1S,2S)-2-hydroxycyclopentyl]-4-nitrobenzamide?
N-[(1S,2S)-2-hydroxycyclopentyl]-4-nitrobenzamide has a molecular weight of 250.25 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-hydroxycyclopentyl]-4-nitrobenzamide is sourced from PubChem (CID 95562447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).