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

C13H15ClN2O4 — CID 62087506

IUPAC2-chloro-N-(2-methoxycyclopentyl)-5-nitrobenzamide
SMILESCOC1CCCC1NC(=O)c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C13H15ClN2O4/c1-20-12-4-2-3-11(12)15-13(17)9-7-8(16(18)19)5-6-10(9)14/h5-7,11-12H,2-4H2,1H3,(H,15,17)
InChIKeyHMBIUKPOKSNLQP-UHFFFAOYSA-N
MW298.73 g/mol
LogP2.55
Rot. Bonds4

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

2-chloro-N-(2-methoxycyclopentyl)-5-nitrobenzamide (PubChem CID 62087506) has the molecular formula C13H15ClN2O4 and a molecular weight of 298.73 g/mol. Its IUPAC name is 2-chloro-N-(2-methoxycyclopentyl)-5-nitrobenzamide.

Molecular Properties

Compound Name2-chloro-N-(2-methoxycyclopentyl)-5-nitrobenzamide
PubChem CID62087506
Molecular FormulaC13H15ClN2O4
Molecular Weight298.73 g/mol
Exact Mass298.07
IUPAC Name2-chloro-N-(2-methoxycyclopentyl)-5-nitrobenzamide
SMILESCOC1CCCC1NC(=O)c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C13H15ClN2O4/c1-20-12-4-2-3-11(12)15-13(17)9-7-8(16(18)19)5-6-10(9)14/h5-7,11-12H,2-4H2,1H3,(H,15,17)
InChIKeyHMBIUKPOKSNLQP-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

2-amino-3-chloro-N-(2-methoxycyclopentyl)-5-nitrobenzamide
CID 107200147
2-chloro-N-(3-methylcyclohexyl)-5-nitrobenzamide
CID 43244113
N-[(2-chloro-5-nitrophenyl)methyl]-2-methoxycyclopentan-1-amine
CID 62086414
2-chloro-N-[4-(methylamino)cyclohexyl]-5-nitrobenzamide
CID 79117755
2,5-difluoro-N-(2-methoxycyclopentyl)-4-nitrobenzamide
CID 104699356
N-(2-chlorocyclopentyl)-2-methyl-5-nitrobenzamide
CID 114189376
2-amino-N-(2-methoxycyclopentyl)-3-nitrobenzamide
CID 115694309
N-(2-chlorocyclopentyl)-2-methoxy-4-nitrobenzamide
CID 106443909
5-chloro-2-hydroxy-N-(2-methoxycyclopentyl)benzamide
CID 62087187
N-[(1R,2R)-2-hydroxycyclohexyl]-2-methoxy-5-nitrobenzamide
CID 104927344
2-chloro-N-(2-cyclopropyloxolan-3-yl)-5-nitrobenzamide
CID 103864661
2-amino-5-fluoro-N-(2-methoxycyclopentyl)benzamide
CID 62086919

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methoxycyclopentyl)-5-nitrobenzamide?
The IUPAC name of 2-chloro-N-(2-methoxycyclopentyl)-5-nitrobenzamide (CID 62087506) is 2-chloro-N-(2-methoxycyclopentyl)-5-nitrobenzamide.
What is the SMILES notation for 2-chloro-N-(2-methoxycyclopentyl)-5-nitrobenzamide?
The canonical SMILES for 2-chloro-N-(2-methoxycyclopentyl)-5-nitrobenzamide is COC1CCCC1NC(=O)c1cc([N+](=O)[O-])ccc1Cl.
What is the InChIKey of 2-chloro-N-(2-methoxycyclopentyl)-5-nitrobenzamide?
The InChIKey is HMBIUKPOKSNLQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O4/c1-20-12-4-2-3-11(12)15-13(17)9-7-8(16(18)19)5-6-10(9)14/h5-7,11-12H,2-4H2,1H3,(H,15,17).
What are the key properties of 2-chloro-N-(2-methoxycyclopentyl)-5-nitrobenzamide?
2-chloro-N-(2-methoxycyclopentyl)-5-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 2-chloro-N-(2-methoxycyclopentyl)-5-nitrobenzamide is sourced from PubChem (CID 62087506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).