N-[2-(hydroxymethyl)cyclopentyl]-2-nitrobenzamide

C13H16N2O4 — CID 103751348

IUPACN-[2-(hydroxymethyl)cyclopentyl]-2-nitrobenzamide
SMILESO=C(NC1CCCC1CO)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H16N2O4/c16-8-9-4-3-6-11(9)14-13(17)10-5-1-2-7-12(10)15(18)19/h1-2,5,7,9,11,16H,3-4,6,8H2,(H,14,17)
InChIKeyXGMSXCMQKSMSGY-UHFFFAOYSA-N
MW264.28 g/mol
LogP1.49
Rot. Bonds4

About N-[2-(hydroxymethyl)cyclopentyl]-2-nitrobenzamide

N-[2-(hydroxymethyl)cyclopentyl]-2-nitrobenzamide (PubChem CID 103751348) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is N-[2-(hydroxymethyl)cyclopentyl]-2-nitrobenzamide.

Molecular Properties

Compound NameN-[2-(hydroxymethyl)cyclopentyl]-2-nitrobenzamide
PubChem CID103751348
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC NameN-[2-(hydroxymethyl)cyclopentyl]-2-nitrobenzamide
SMILESO=C(NC1CCCC1CO)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H16N2O4/c16-8-9-4-3-6-11(9)14-13(17)10-5-1-2-7-12(10)15(18)19/h1-2,5,7,9,11,16H,3-4,6,8H2,(H,14,17)
InChIKeyXGMSXCMQKSMSGY-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-(2-bromocyclopentyl)-2-nitrobenzamide
CID 80663029
2-amino-N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 103951112
N-[2-(hydroxymethyl)cyclohexyl]-2-sulfanylbenzamide
CID 106367893
N-[2-(hydroxymethyl)cyclopentyl]-2-methyl-5-nitrobenzamide
CID 103751423
2-(ethylamino)-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 106362523
N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 85447885
[2-[1-(2-nitrophenyl)ethylamino]cyclopentyl]methanol
CID 103717133
N-[(2-bromocyclohexyl)methyl]-2-nitrobenzamide
CID 114312172
2-(2-aminoethyl)-N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 106361498
N-[2-(hydroxymethyl)cyclopentyl]-2-iodo-3-methylbenzamide
CID 113254999
N-[2-(aminomethyl)cyclopentyl]-4-fluoro-2-nitrobenzamide;hydrochloride
CID 119601035
N-[2-(hydroxymethyl)cyclopentyl]-1H-indole-3-carboxamide
CID 103774231

Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxymethyl)cyclopentyl]-2-nitrobenzamide?
The IUPAC name of N-[2-(hydroxymethyl)cyclopentyl]-2-nitrobenzamide (CID 103751348) is N-[2-(hydroxymethyl)cyclopentyl]-2-nitrobenzamide.
What is the SMILES notation for N-[2-(hydroxymethyl)cyclopentyl]-2-nitrobenzamide?
The canonical SMILES for N-[2-(hydroxymethyl)cyclopentyl]-2-nitrobenzamide is O=C(NC1CCCC1CO)c1ccccc1[N+](=O)[O-].
What is the InChIKey of N-[2-(hydroxymethyl)cyclopentyl]-2-nitrobenzamide?
The InChIKey is XGMSXCMQKSMSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c16-8-9-4-3-6-11(9)14-13(17)10-5-1-2-7-12(10)15(18)19/h1-2,5,7,9,11,16H,3-4,6,8H2,(H,14,17).
What are the key properties of N-[2-(hydroxymethyl)cyclopentyl]-2-nitrobenzamide?
N-[2-(hydroxymethyl)cyclopentyl]-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-[2-(hydroxymethyl)cyclopentyl]-2-nitrobenzamide is sourced from PubChem (CID 103751348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).