N-cyclopentyl-3-(2-hydroxyethyl)-4-nitrobenzamide

C14H18N2O4 — CID 141451365

IUPACN-cyclopentyl-3-(2-hydroxyethyl)-4-nitrobenzamide
SMILESO=C(NC1CCCC1)c1ccc([N+](=O)[O-])c(CCO)c1
InChIInChI=1S/C14H18N2O4/c17-8-7-10-9-11(5-6-13(10)16(19)20)14(18)15-12-3-1-2-4-12/h5-6,9,12,17H,1-4,7-8H2,(H,15,18)
InChIKeyYNOQUSKUWHJUJO-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.80
Rot. Bonds5

About N-cyclopentyl-3-(2-hydroxyethyl)-4-nitrobenzamide

N-cyclopentyl-3-(2-hydroxyethyl)-4-nitrobenzamide (PubChem CID 141451365) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is N-cyclopentyl-3-(2-hydroxyethyl)-4-nitrobenzamide.

Molecular Properties

Compound NameN-cyclopentyl-3-(2-hydroxyethyl)-4-nitrobenzamide
PubChem CID141451365
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC NameN-cyclopentyl-3-(2-hydroxyethyl)-4-nitrobenzamide
SMILESO=C(NC1CCCC1)c1ccc([N+](=O)[O-])c(CCO)c1
InChIInChI=1S/C14H18N2O4/c17-8-7-10-9-11(5-6-13(10)16(19)20)14(18)15-12-3-1-2-4-12/h5-6,9,12,17H,1-4,7-8H2,(H,15,18)
InChIKeyYNOQUSKUWHJUJO-UHFFFAOYSA-N
XLogP1.80
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.80
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

4-amino-N-cyclopentyl-3-nitrobenzamide
CID 25466600
N-cyclohexyl-4-(cyclohexylamino)-3-nitrobenzamide
CID 2959407
4-chloro-N-cyclobutyl-3-nitrobenzamide
CID 62415356
N-cyclohexyl-4-methoxy-3-nitrobenzamide
CID 711599
N-cyclopentyl-3-nitro-4-piperidin-1-ylbenzamide
CID 23738990
N-cycloheptyl-3-nitro-4-piperidin-1-ylbenzamide
CID 7312159
N-cyclododecyl-4-nitrobenzamide
CID 19168070
N-cyclohexyl-4-(2-methoxyethylamino)-3-nitrobenzamide
CID 51254591
N-cyclooctyl-3,5-dinitrobenzamide
CID 4130171
1-N,3-N-dicyclopentyl-5-nitrobenzene-1,3-dicarboxamide
CID 4058305
N-cyclopentyl-5-methyl-2-nitrobenzamide
CID 65462834
N-(4,4-dimethylcyclohexyl)-3-hydroxy-4-nitrobenzamide
CID 103711757

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-(2-hydroxyethyl)-4-nitrobenzamide?
The IUPAC name of N-cyclopentyl-3-(2-hydroxyethyl)-4-nitrobenzamide (CID 141451365) is N-cyclopentyl-3-(2-hydroxyethyl)-4-nitrobenzamide.
What is the SMILES notation for N-cyclopentyl-3-(2-hydroxyethyl)-4-nitrobenzamide?
The canonical SMILES for N-cyclopentyl-3-(2-hydroxyethyl)-4-nitrobenzamide is O=C(NC1CCCC1)c1ccc([N+](=O)[O-])c(CCO)c1.
What is the InChIKey of N-cyclopentyl-3-(2-hydroxyethyl)-4-nitrobenzamide?
The InChIKey is YNOQUSKUWHJUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c17-8-7-10-9-11(5-6-13(10)16(19)20)14(18)15-12-3-1-2-4-12/h5-6,9,12,17H,1-4,7-8H2,(H,15,18).
What are the key properties of N-cyclopentyl-3-(2-hydroxyethyl)-4-nitrobenzamide?
N-cyclopentyl-3-(2-hydroxyethyl)-4-nitrobenzamide has a molecular weight of 278.31 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-(2-hydroxyethyl)-4-nitrobenzamide is sourced from PubChem (CID 141451365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).