N-[2-(hydroxymethyl)cyclopentyl]-2-methyl-5-nitrobenzamide

C14H18N2O4 — CID 103751423

IUPACN-[2-(hydroxymethyl)cyclopentyl]-2-methyl-5-nitrobenzamide
SMILESCc1ccc([N+](=O)[O-])cc1C(=O)NC1CCCC1CO
InChIInChI=1S/C14H18N2O4/c1-9-5-6-11(16(19)20)7-12(9)14(18)15-13-4-2-3-10(13)8-17/h5-7,10,13,17H,2-4,8H2,1H3,(H,15,18)
InChIKeyUDMKWEOELJSDNL-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.79
Rot. Bonds4

About N-[2-(hydroxymethyl)cyclopentyl]-2-methyl-5-nitrobenzamide

N-[2-(hydroxymethyl)cyclopentyl]-2-methyl-5-nitrobenzamide (PubChem CID 103751423) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is N-[2-(hydroxymethyl)cyclopentyl]-2-methyl-5-nitrobenzamide.

Molecular Properties

Compound NameN-[2-(hydroxymethyl)cyclopentyl]-2-methyl-5-nitrobenzamide
PubChem CID103751423
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC NameN-[2-(hydroxymethyl)cyclopentyl]-2-methyl-5-nitrobenzamide
SMILESCc1ccc([N+](=O)[O-])cc1C(=O)NC1CCCC1CO
InChIInChI=1S/C14H18N2O4/c1-9-5-6-11(16(19)20)7-12(9)14(18)15-13-4-2-3-10(13)8-17/h5-7,10,13,17H,2-4,8H2,1H3,(H,15,18)
InChIKeyUDMKWEOELJSDNL-UHFFFAOYSA-N
XLogP1.79
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.79
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-chlorocyclopentyl)-2-methyl-5-nitrobenzamide
CID 114189376
N-(2-hydroxycyclohexyl)-2-methyl-5-nitrobenzamide
CID 62361086
2-methyl-N-(2-methylpiperidin-3-yl)-5-nitrobenzamide;hydrochloride
CID 120577307
N-[2-(hydroxymethyl)cyclohexyl]-5-nitro-2-oxo-1H-pyridine-3-carboxamide
CID 106364548
N-[2-(hydroxymethyl)cyclopentyl]-2-methyl-5-nitrobenzenesulfonamide
CID 103835995
2-amino-N-[2-(hydroxymethyl)cyclopentyl]-5-methylbenzamide
CID 114178387
N-[2-(hydroxymethyl)cyclopentyl]-2-nitrobenzamide
CID 103751348
N-[2-(hydroxymethyl)cyclopentyl]-1-methyl-4-nitropyrrole-2-carboxamide
CID 103774083
N-(2-chlorocyclohexyl)-2-methyl-4-nitrobenzamide
CID 114301360
N-[(2-chlorocyclohexyl)methyl]-2-methyl-5-nitrobenzamide
CID 114301566
2-[[2-(hydroxymethyl)cyclopentyl]amino]-4-nitrobenzoic acid
CID 106361797
N-[2-(aminomethyl)cyclopentyl]-2-bromo-4-nitrobenzamide;hydrochloride
CID 119602955

Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxymethyl)cyclopentyl]-2-methyl-5-nitrobenzamide?
The IUPAC name of N-[2-(hydroxymethyl)cyclopentyl]-2-methyl-5-nitrobenzamide (CID 103751423) is N-[2-(hydroxymethyl)cyclopentyl]-2-methyl-5-nitrobenzamide.
What is the SMILES notation for N-[2-(hydroxymethyl)cyclopentyl]-2-methyl-5-nitrobenzamide?
The canonical SMILES for N-[2-(hydroxymethyl)cyclopentyl]-2-methyl-5-nitrobenzamide is Cc1ccc([N+](=O)[O-])cc1C(=O)NC1CCCC1CO.
What is the InChIKey of N-[2-(hydroxymethyl)cyclopentyl]-2-methyl-5-nitrobenzamide?
The InChIKey is UDMKWEOELJSDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-9-5-6-11(16(19)20)7-12(9)14(18)15-13-4-2-3-10(13)8-17/h5-7,10,13,17H,2-4,8H2,1H3,(H,15,18).
What are the key properties of N-[2-(hydroxymethyl)cyclopentyl]-2-methyl-5-nitrobenzamide?
N-[2-(hydroxymethyl)cyclopentyl]-2-methyl-5-nitrobenzamide has a molecular weight of 278.31 g/mol, XLogP of 1.79, 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-methyl-5-nitrobenzamide is sourced from PubChem (CID 103751423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).