N-(2-aminocyclopentyl)-3-methoxy-4-nitrobenzamide

C13H17N3O4 — CID 104783797

IUPACN-(2-aminocyclopentyl)-3-methoxy-4-nitrobenzamide
SMILESCOc1cc(C(=O)NC2CCCC2N)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H17N3O4/c1-20-12-7-8(5-6-11(12)16(18)19)13(17)15-10-4-2-3-9(10)14/h5-7,9-10H,2-4,14H2,1H3,(H,15,17)
InChIKeyVPSIDJYVLHHUNN-UHFFFAOYSA-N
MW279.30 g/mol
LogP1.21
Rot. Bonds4

About N-(2-aminocyclopentyl)-3-methoxy-4-nitrobenzamide

N-(2-aminocyclopentyl)-3-methoxy-4-nitrobenzamide (PubChem CID 104783797) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is N-(2-aminocyclopentyl)-3-methoxy-4-nitrobenzamide.

Molecular Properties

Compound NameN-(2-aminocyclopentyl)-3-methoxy-4-nitrobenzamide
PubChem CID104783797
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC NameN-(2-aminocyclopentyl)-3-methoxy-4-nitrobenzamide
SMILESCOc1cc(C(=O)NC2CCCC2N)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H17N3O4/c1-20-12-7-8(5-6-11(12)16(18)19)13(17)15-10-4-2-3-9(10)14/h5-7,9-10H,2-4,14H2,1H3,(H,15,17)
InChIKeyVPSIDJYVLHHUNN-UHFFFAOYSA-N
XLogP1.21
TPSA107.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(2-bromocyclopentyl)-3-methoxy-4-nitrobenzamide
CID 104783556
cis-(1R,2S)-2-[(3-methoxy-4-nitrobenzoyl)amino]cycloheptane-1-carboxylic acid
CID 97234210
N-(2-aminocyclopentyl)-3-fluoro-4-methoxybenzamide
CID 63251639
N-(azepan-4-yl)-3-methoxy-4-nitrobenzamide
CID 105061010
N-cyclohexyl-4-methoxy-3-nitrobenzamide
CID 711599
N-[(1S,2S)-2-aminocyclopentyl]-2,6-dimethoxybenzamide
CID 118308160
N-[(1R,2S)-2-aminocyclopentyl]-2,6-dimethoxybenzamide
CID 122452181
N-[2-(hydroxymethyl)cyclopentyl]-3,4-dimethoxybenzamide
CID 103751338
N-[2-(cycloheptylamino)ethyl]-3-methoxy-4-nitrobenzamide
CID 119620213
N-(1-amino-2-cyclopropylpropan-2-yl)-3-methoxy-4-nitrobenzamide
CID 115737293
N-[2-(aminomethyl)cyclopentyl]-3,4-dimethoxybenzamide;hydrochloride
CID 119602992
N-[(1S,2S)-2-aminocyclopentyl]-2,6-dimethoxybenzamide;hydrochloride
CID 118308159

Frequently Asked Questions

What is the IUPAC name of N-(2-aminocyclopentyl)-3-methoxy-4-nitrobenzamide?
The IUPAC name of N-(2-aminocyclopentyl)-3-methoxy-4-nitrobenzamide (CID 104783797) is N-(2-aminocyclopentyl)-3-methoxy-4-nitrobenzamide.
What is the SMILES notation for N-(2-aminocyclopentyl)-3-methoxy-4-nitrobenzamide?
The canonical SMILES for N-(2-aminocyclopentyl)-3-methoxy-4-nitrobenzamide is COc1cc(C(=O)NC2CCCC2N)ccc1[N+](=O)[O-].
What is the InChIKey of N-(2-aminocyclopentyl)-3-methoxy-4-nitrobenzamide?
The InChIKey is VPSIDJYVLHHUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c1-20-12-7-8(5-6-11(12)16(18)19)13(17)15-10-4-2-3-9(10)14/h5-7,9-10H,2-4,14H2,1H3,(H,15,17).
What are the key properties of N-(2-aminocyclopentyl)-3-methoxy-4-nitrobenzamide?
N-(2-aminocyclopentyl)-3-methoxy-4-nitrobenzamide has a molecular weight of 279.30 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminocyclopentyl)-3-methoxy-4-nitrobenzamide is sourced from PubChem (CID 104783797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).