3-cyclopentyloxy-4-methoxy-N-(2-nitrophenyl)benzamide

C19H20N2O5 — CID 10089597

IUPAC3-cyclopentyloxy-4-methoxy-N-(2-nitrophenyl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2[N+](=O)[O-])cc1OC1CCCC1
InChIInChI=1S/C19H20N2O5/c1-25-17-11-10-13(12-18(17)26-14-6-2-3-7-14)19(22)20-15-8-4-5-9-16(15)21(23)24/h4-5,8-12,14H,2-3,6-7H2,1H3,(H,20,22)
InChIKeyIAXYKIKFJWCHNY-UHFFFAOYSA-N
MW356.38 g/mol
LogP4.18
Rot. Bonds6

About 3-cyclopentyloxy-4-methoxy-N-(2-nitrophenyl)benzamide

3-cyclopentyloxy-4-methoxy-N-(2-nitrophenyl)benzamide (PubChem CID 10089597) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is 3-cyclopentyloxy-4-methoxy-N-(2-nitrophenyl)benzamide.

Molecular Properties

Compound Name3-cyclopentyloxy-4-methoxy-N-(2-nitrophenyl)benzamide
PubChem CID10089597
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Name3-cyclopentyloxy-4-methoxy-N-(2-nitrophenyl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2[N+](=O)[O-])cc1OC1CCCC1
InChIInChI=1S/C19H20N2O5/c1-25-17-11-10-13(12-18(17)26-14-6-2-3-7-14)19(22)20-15-8-4-5-9-16(15)21(23)24/h4-5,8-12,14H,2-3,6-7H2,1H3,(H,20,22)
InChIKeyIAXYKIKFJWCHNY-UHFFFAOYSA-N
XLogP4.18
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 54.18
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyloxy-4-methoxy-N-(2-nitrophenyl)benzamide?
The IUPAC name of 3-cyclopentyloxy-4-methoxy-N-(2-nitrophenyl)benzamide (CID 10089597) is 3-cyclopentyloxy-4-methoxy-N-(2-nitrophenyl)benzamide.
What is the SMILES notation for 3-cyclopentyloxy-4-methoxy-N-(2-nitrophenyl)benzamide?
The canonical SMILES for 3-cyclopentyloxy-4-methoxy-N-(2-nitrophenyl)benzamide is COc1ccc(C(=O)Nc2ccccc2[N+](=O)[O-])cc1OC1CCCC1.
What is the InChIKey of 3-cyclopentyloxy-4-methoxy-N-(2-nitrophenyl)benzamide?
The InChIKey is IAXYKIKFJWCHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5/c1-25-17-11-10-13(12-18(17)26-14-6-2-3-7-14)19(22)20-15-8-4-5-9-16(15)21(23)24/h4-5,8-12,14H,2-3,6-7H2,1H3,(H,20,22).
What are the key properties of 3-cyclopentyloxy-4-methoxy-N-(2-nitrophenyl)benzamide?
3-cyclopentyloxy-4-methoxy-N-(2-nitrophenyl)benzamide has a molecular weight of 356.38 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyloxy-4-methoxy-N-(2-nitrophenyl)benzamide is sourced from PubChem (CID 10089597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).