N-[(3-hydroxycyclopentyl)methyl]-2-nitrobenzamide

C13H16N2O4 — CID 103280198

IUPACN-[(3-hydroxycyclopentyl)methyl]-2-nitrobenzamide
SMILESO=C(NCC1CCC(O)C1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H16N2O4/c16-10-6-5-9(7-10)8-14-13(17)11-3-1-2-4-12(11)15(18)19/h1-4,9-10,16H,5-8H2,(H,14,17)
InChIKeyWJCFMYMTAGEUSV-UHFFFAOYSA-N
MW264.28 g/mol
LogP1.49
Rot. Bonds4

About N-[(3-hydroxycyclopentyl)methyl]-2-nitrobenzamide

N-[(3-hydroxycyclopentyl)methyl]-2-nitrobenzamide (PubChem CID 103280198) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is N-[(3-hydroxycyclopentyl)methyl]-2-nitrobenzamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclopentyl)methyl]-2-nitrobenzamide
PubChem CID103280198
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC NameN-[(3-hydroxycyclopentyl)methyl]-2-nitrobenzamide
SMILESO=C(NCC1CCC(O)C1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H16N2O4/c16-10-6-5-9(7-10)8-14-13(17)11-3-1-2-4-12(11)15(18)19/h1-4,9-10,16H,5-8H2,(H,14,17)
InChIKeyWJCFMYMTAGEUSV-UHFFFAOYSA-N
XLogP1.49
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.49
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-[(3-hydroxycyclohexyl)methyl]-2-nitrobenzamide
CID 103691205
N-[(3-hydroxycyclopentyl)methyl]-3-methyl-2-nitrobenzamide
CID 103280585
3-chloro-N-[(3-hydroxycyclopentyl)methyl]-2-nitrobenzamide
CID 103280755
2-(difluoromethylsulfanyl)-N-[(3-hydroxycyclopentyl)methyl]benzamide
CID 103279883
N-[(2-bromocyclohexyl)methyl]-2-nitrobenzamide
CID 114312172
N-[(3-hydroxycyclopentyl)methyl]-2-nitrobenzenesulfonamide
CID 103270198
2-(difluoromethoxy)-N-[(3-hydroxycyclopentyl)methyl]benzamide
CID 103280038
2-chloro-N-(cyclobutylmethyl)-3-nitrobenzamide
CID 112576276
2-amino-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 103950315
N-[(3-hydroxycyclopentyl)methyl]-1-benzofuran-3-carboxamide
CID 103279843
N-[(3-hydroxycyclopentyl)methyl]-1H-indole-3-carboxamide
CID 103280554
N-[(3-chlorocyclopentyl)methyl]-4-fluoro-2-nitrobenzamide
CID 106127301

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclopentyl)methyl]-2-nitrobenzamide?
The IUPAC name of N-[(3-hydroxycyclopentyl)methyl]-2-nitrobenzamide (CID 103280198) is N-[(3-hydroxycyclopentyl)methyl]-2-nitrobenzamide.
What is the SMILES notation for N-[(3-hydroxycyclopentyl)methyl]-2-nitrobenzamide?
The canonical SMILES for N-[(3-hydroxycyclopentyl)methyl]-2-nitrobenzamide is O=C(NCC1CCC(O)C1)c1ccccc1[N+](=O)[O-].
What is the InChIKey of N-[(3-hydroxycyclopentyl)methyl]-2-nitrobenzamide?
The InChIKey is WJCFMYMTAGEUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c16-10-6-5-9(7-10)8-14-13(17)11-3-1-2-4-12(11)15(18)19/h1-4,9-10,16H,5-8H2,(H,14,17).
What are the key properties of N-[(3-hydroxycyclopentyl)methyl]-2-nitrobenzamide?
N-[(3-hydroxycyclopentyl)methyl]-2-nitrobenzamide has a molecular weight of 264.28 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclopentyl)methyl]-2-nitrobenzamide is sourced from PubChem (CID 103280198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).