N-cyclopentyloxy-3-nitrobenzamide

C12H14N2O4 — CID 83201954

IUPACN-cyclopentyloxy-3-nitrobenzamide
SMILESO=C(NOC1CCCC1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C12H14N2O4/c15-12(13-18-11-6-1-2-7-11)9-4-3-5-10(8-9)14(16)17/h3-5,8,11H,1-2,6-7H2,(H,13,15)
InChIKeyIXCWTWUUCWDDQH-UHFFFAOYSA-N
MW250.25 g/mol
LogP2.20
Rot. Bonds4

About N-cyclopentyloxy-3-nitrobenzamide

N-cyclopentyloxy-3-nitrobenzamide (PubChem CID 83201954) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is N-cyclopentyloxy-3-nitrobenzamide.

Molecular Properties

Compound NameN-cyclopentyloxy-3-nitrobenzamide
PubChem CID83201954
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC NameN-cyclopentyloxy-3-nitrobenzamide
SMILESO=C(NOC1CCCC1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C12H14N2O4/c15-12(13-18-11-6-1-2-7-11)9-4-3-5-10(8-9)14(16)17/h3-5,8,11H,1-2,6-7H2,(H,13,15)
InChIKeyIXCWTWUUCWDDQH-UHFFFAOYSA-N
XLogP2.20
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 52.20
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

CID 7449
CID 7449
CID 9796068
CID 9796068
CID 4511
CID 4511
CID 8494
CID 8494
CID 12576
CID 12576
CID 3291498
CID 3291498
CID 1679
CID 1679
CID 137973
CID 137973
CID 83167
CID 83167
CID 4435105
CID 4435105
CID 5378133
CID 5378133
CID 87096
CID 87096

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyloxy-3-nitrobenzamide?
The IUPAC name of N-cyclopentyloxy-3-nitrobenzamide (CID 83201954) is N-cyclopentyloxy-3-nitrobenzamide.
What is the SMILES notation for N-cyclopentyloxy-3-nitrobenzamide?
The canonical SMILES for N-cyclopentyloxy-3-nitrobenzamide is O=C(NOC1CCCC1)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-cyclopentyloxy-3-nitrobenzamide?
The InChIKey is IXCWTWUUCWDDQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c15-12(13-18-11-6-1-2-7-11)9-4-3-5-10(8-9)14(16)17/h3-5,8,11H,1-2,6-7H2,(H,13,15).
What are the key properties of N-cyclopentyloxy-3-nitrobenzamide?
N-cyclopentyloxy-3-nitrobenzamide has a molecular weight of 250.25 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyloxy-3-nitrobenzamide is sourced from PubChem (CID 83201954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).