5-chloro-N-(3-methoxycyclopentyl)-2-nitrobenzamide

C13H15ClN2O4 — CID 103082421

IUPAC5-chloro-N-(3-methoxycyclopentyl)-2-nitrobenzamide
SMILESCOC1CCC(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1
InChIInChI=1S/C13H15ClN2O4/c1-20-10-4-3-9(7-10)15-13(17)11-6-8(14)2-5-12(11)16(18)19/h2,5-6,9-10H,3-4,7H2,1H3,(H,15,17)
InChIKeyRPCIQAZRCYHIJE-UHFFFAOYSA-N
MW298.73 g/mol
LogP2.55
Rot. Bonds4

About 5-chloro-N-(3-methoxycyclopentyl)-2-nitrobenzamide

5-chloro-N-(3-methoxycyclopentyl)-2-nitrobenzamide (PubChem CID 103082421) has the molecular formula C13H15ClN2O4 and a molecular weight of 298.73 g/mol. Its IUPAC name is 5-chloro-N-(3-methoxycyclopentyl)-2-nitrobenzamide.

Molecular Properties

Compound Name5-chloro-N-(3-methoxycyclopentyl)-2-nitrobenzamide
PubChem CID103082421
Molecular FormulaC13H15ClN2O4
Molecular Weight298.73 g/mol
Exact Mass298.07
IUPAC Name5-chloro-N-(3-methoxycyclopentyl)-2-nitrobenzamide
SMILESCOC1CCC(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1
InChIInChI=1S/C13H15ClN2O4/c1-20-10-4-3-9(7-10)15-13(17)11-6-8(14)2-5-12(11)16(18)19/h2,5-6,9-10H,3-4,7H2,1H3,(H,15,17)
InChIKeyRPCIQAZRCYHIJE-UHFFFAOYSA-N
XLogP2.55
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.73
LogP ≤ 52.55
H-Bond Donors ≤ 51
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

5-chloro-2-fluoro-N-(3-methoxycyclopentyl)benzamide
CID 103082452
2-fluoro-N-(3-methoxycyclopentyl)-5-nitrobenzamide
CID 103097102
5-chloro-2-nitro-N-(6-oxopiperidin-3-yl)benzamide
CID 62896045
N-(2-aminocyclopropyl)-5-chloro-2-nitrobenzamide
CID 43593870
N-(3-methoxycyclopentyl)-4-(methylamino)-3-nitrobenzamide
CID 103082472
(5-chloro-2-nitrophenyl)-(4-methoxypiperidin-1-yl)methanone
CID 43216619
5-chloro-2-nitro-N-(5-oxopyrrolidin-3-yl)benzamide
CID 113358036
5-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-2-nitrobenzamide
CID 8590046
5-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-nitrobenzamide
CID 8590047
(3,4-dimethylcyclohexyl) 5-chloro-2-nitrobenzoate
CID 64744369
N-(2-aminocyclohexyl)-5-chloro-2-nitrobenzamide
CID 61037362
N-cyclopropyl-5-(methylamino)-2-nitrobenzamide
CID 62172017

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-methoxycyclopentyl)-2-nitrobenzamide?
The IUPAC name of 5-chloro-N-(3-methoxycyclopentyl)-2-nitrobenzamide (CID 103082421) is 5-chloro-N-(3-methoxycyclopentyl)-2-nitrobenzamide.
What is the SMILES notation for 5-chloro-N-(3-methoxycyclopentyl)-2-nitrobenzamide?
The canonical SMILES for 5-chloro-N-(3-methoxycyclopentyl)-2-nitrobenzamide is COC1CCC(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1.
What is the InChIKey of 5-chloro-N-(3-methoxycyclopentyl)-2-nitrobenzamide?
The InChIKey is RPCIQAZRCYHIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O4/c1-20-10-4-3-9(7-10)15-13(17)11-6-8(14)2-5-12(11)16(18)19/h2,5-6,9-10H,3-4,7H2,1H3,(H,15,17).
What are the key properties of 5-chloro-N-(3-methoxycyclopentyl)-2-nitrobenzamide?
5-chloro-N-(3-methoxycyclopentyl)-2-nitrobenzamide has a molecular weight of 298.73 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-methoxycyclopentyl)-2-nitrobenzamide is sourced from PubChem (CID 103082421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).