N-(2-chlorocyclopentyl)-2-methoxy-4-nitrobenzamide

C13H15ClN2O4 — CID 106443909

IUPACN-(2-chlorocyclopentyl)-2-methoxy-4-nitrobenzamide
SMILESCOc1cc([N+](=O)[O-])ccc1C(=O)NC1CCCC1Cl
InChIInChI=1S/C13H15ClN2O4/c1-20-12-7-8(16(18)19)5-6-9(12)13(17)15-11-4-2-3-10(11)14/h5-7,10-11H,2-4H2,1H3,(H,15,17)
InChIKeyODZQGJMMGWNRFO-UHFFFAOYSA-N
MW298.73 g/mol
LogP2.49
Rot. Bonds4

About N-(2-chlorocyclopentyl)-2-methoxy-4-nitrobenzamide

N-(2-chlorocyclopentyl)-2-methoxy-4-nitrobenzamide (PubChem CID 106443909) has the molecular formula C13H15ClN2O4 and a molecular weight of 298.73 g/mol. Its IUPAC name is N-(2-chlorocyclopentyl)-2-methoxy-4-nitrobenzamide.

Molecular Properties

Compound NameN-(2-chlorocyclopentyl)-2-methoxy-4-nitrobenzamide
PubChem CID106443909
Molecular FormulaC13H15ClN2O4
Molecular Weight298.73 g/mol
Exact Mass298.07
IUPAC NameN-(2-chlorocyclopentyl)-2-methoxy-4-nitrobenzamide
SMILESCOc1cc([N+](=O)[O-])ccc1C(=O)NC1CCCC1Cl
InChIInChI=1S/C13H15ClN2O4/c1-20-12-7-8(16(18)19)5-6-9(12)13(17)15-11-4-2-3-10(11)14/h5-7,10-11H,2-4H2,1H3,(H,15,17)
InChIKeyODZQGJMMGWNRFO-UHFFFAOYSA-N
XLogP2.49
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 ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'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-chlorocyclohexyl)-2-methyl-4-nitrobenzamide
CID 114301360
N-[(1R,2R)-2-hydroxycyclohexyl]-2-methoxy-5-nitrobenzamide
CID 104927344
N-(2-chlorocyclopentyl)-2,3,4-trimethoxybenzamide
CID 106443653
N-(2-chlorocyclopentyl)-2,5-dimethoxybenzamide
CID 106444066
methyl 2-methoxy-4-nitrobenzoate
CID 10798535
2-chloro-N-(2-methoxycyclopentyl)-5-nitrobenzamide
CID 62087506
N,2-dimethoxy-4-nitrobenzamide
CID 44632214
N-cyclopropyl-2-methoxy-5-nitrobenzamide
CID 9210144
N-(2-amino-1-cyclopropylethyl)-2-methoxy-4-nitrobenzamide
CID 104783824
N-(1,3-dihydroxypropan-2-yl)-2-methoxy-4-nitrobenzamide
CID 104783674
2-methoxy-4-nitrobenzoate
CID 6995516

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorocyclopentyl)-2-methoxy-4-nitrobenzamide?
The IUPAC name of N-(2-chlorocyclopentyl)-2-methoxy-4-nitrobenzamide (CID 106443909) is N-(2-chlorocyclopentyl)-2-methoxy-4-nitrobenzamide.
What is the SMILES notation for N-(2-chlorocyclopentyl)-2-methoxy-4-nitrobenzamide?
The canonical SMILES for N-(2-chlorocyclopentyl)-2-methoxy-4-nitrobenzamide is COc1cc([N+](=O)[O-])ccc1C(=O)NC1CCCC1Cl.
What is the InChIKey of N-(2-chlorocyclopentyl)-2-methoxy-4-nitrobenzamide?
The InChIKey is ODZQGJMMGWNRFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O4/c1-20-12-7-8(16(18)19)5-6-9(12)13(17)15-11-4-2-3-10(11)14/h5-7,10-11H,2-4H2,1H3,(H,15,17).
What are the key properties of N-(2-chlorocyclopentyl)-2-methoxy-4-nitrobenzamide?
N-(2-chlorocyclopentyl)-2-methoxy-4-nitrobenzamide has a molecular weight of 298.73 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorocyclopentyl)-2-methoxy-4-nitrobenzamide is sourced from PubChem (CID 106443909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).