N-cyclopropyl-2-methoxy-5-nitrobenzamide

C11H12N2O4 — CID 9210144

IUPACN-cyclopropyl-2-methoxy-5-nitrobenzamide
SMILESCOc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1
InChIInChI=1S/C11H12N2O4/c1-17-10-5-4-8(13(15)16)6-9(10)11(14)12-7-2-3-7/h4-7H,2-3H2,1H3,(H,12,14)
InChIKeyVMLFKPZFBHJROK-UHFFFAOYSA-N
MW236.23 g/mol
LogP1.50
Rot. Bonds4

About N-cyclopropyl-2-methoxy-5-nitrobenzamide

N-cyclopropyl-2-methoxy-5-nitrobenzamide (PubChem CID 9210144) has the molecular formula C11H12N2O4 and a molecular weight of 236.23 g/mol. Its IUPAC name is N-cyclopropyl-2-methoxy-5-nitrobenzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-methoxy-5-nitrobenzamide
PubChem CID9210144
Molecular FormulaC11H12N2O4
Molecular Weight236.23 g/mol
Exact Mass236.08
IUPAC NameN-cyclopropyl-2-methoxy-5-nitrobenzamide
SMILESCOc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1
InChIInChI=1S/C11H12N2O4/c1-17-10-5-4-8(13(15)16)6-9(10)11(14)12-7-2-3-7/h4-7H,2-3H2,1H3,(H,12,14)
InChIKeyVMLFKPZFBHJROK-UHFFFAOYSA-N
XLogP1.50
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 51.50
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

N-(3,3-dimethylcyclopentyl)-2-methoxy-5-nitrobenzamide
CID 115880925
N-[(1R,2R)-2-hydroxycyclohexyl]-2-methoxy-5-nitrobenzamide
CID 104927344
N-[(3R)-1-ethylpiperidin-1-ium-3-yl]-2-methoxy-5-nitrobenzamide
CID 6947735
2-chloro-N-[4-(methylamino)cyclohexyl]-5-nitrobenzamide
CID 79117755
2-butoxy-N-cyclohexyl-5-nitrobenzamide
CID 139678176
N-(3,4-dihydro-2H-chromen-4-yl)-2-methoxy-5-nitrobenzamide
CID 18115291
1-cyclopropyl-3-(2-methoxy-4-nitrophenyl)urea
CID 108887567
N-cyclopropyl-2-methoxy-5-phenylbenzamide
CID 110406431
[4-(ethylcarbamoylamino)cyclohexyl] 2-methoxy-5-nitrobenzoate
CID 47592628
5-tert-butyl-N-cyclopropyl-2-methoxybenzamide
CID 110761313
N-(4-hydroxycyclohexyl)-2-(methylamino)-5-nitrobenzamide
CID 60656170
N-(3-ethoxypropyl)-2-methoxy-5-nitrobenzamide
CID 27680733

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-methoxy-5-nitrobenzamide?
The IUPAC name of N-cyclopropyl-2-methoxy-5-nitrobenzamide (CID 9210144) is N-cyclopropyl-2-methoxy-5-nitrobenzamide.
What is the SMILES notation for N-cyclopropyl-2-methoxy-5-nitrobenzamide?
The canonical SMILES for N-cyclopropyl-2-methoxy-5-nitrobenzamide is COc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-methoxy-5-nitrobenzamide?
The InChIKey is VMLFKPZFBHJROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4/c1-17-10-5-4-8(13(15)16)6-9(10)11(14)12-7-2-3-7/h4-7H,2-3H2,1H3,(H,12,14).
What are the key properties of N-cyclopropyl-2-methoxy-5-nitrobenzamide?
N-cyclopropyl-2-methoxy-5-nitrobenzamide has a molecular weight of 236.23 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-methoxy-5-nitrobenzamide is sourced from PubChem (CID 9210144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).