N-(2-hydroxy-5-nitrophenyl)-N-(1-phenylcyclopentyl)formamide

C18H18N2O4 — CID 53446284

IUPACN-(2-hydroxy-5-nitrophenyl)-N-(1-phenylcyclopentyl)formamide
SMILESO=CN(c1cc([N+](=O)[O-])ccc1O)C1(c2ccccc2)CCCC1
InChIInChI=1S/C18H18N2O4/c21-13-19(16-12-15(20(23)24)8-9-17(16)22)18(10-4-5-11-18)14-6-2-1-3-7-14/h1-3,6-9,12-13,22H,4-5,10-11H2
InChIKeyKDPQLBRLIAELHM-UHFFFAOYSA-N
MW326.35 g/mol
LogP3.73
Rot. Bonds5

About N-(2-hydroxy-5-nitrophenyl)-N-(1-phenylcyclopentyl)formamide

N-(2-hydroxy-5-nitrophenyl)-N-(1-phenylcyclopentyl)formamide (PubChem CID 53446284) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is N-(2-hydroxy-5-nitrophenyl)-N-(1-phenylcyclopentyl)formamide.

Molecular Properties

Compound NameN-(2-hydroxy-5-nitrophenyl)-N-(1-phenylcyclopentyl)formamide
PubChem CID53446284
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC NameN-(2-hydroxy-5-nitrophenyl)-N-(1-phenylcyclopentyl)formamide
SMILESO=CN(c1cc([N+](=O)[O-])ccc1O)C1(c2ccccc2)CCCC1
InChIInChI=1S/C18H18N2O4/c21-13-19(16-12-15(20(23)24)8-9-17(16)22)18(10-4-5-11-18)14-6-2-1-3-7-14/h1-3,6-9,12-13,22H,4-5,10-11H2
InChIKeyKDPQLBRLIAELHM-UHFFFAOYSA-N
XLogP3.73
TPSA83.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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 N-(2-hydroxy-5-nitrophenyl)-N-(1-phenylcyclopentyl)formamide?
The IUPAC name of N-(2-hydroxy-5-nitrophenyl)-N-(1-phenylcyclopentyl)formamide (CID 53446284) is N-(2-hydroxy-5-nitrophenyl)-N-(1-phenylcyclopentyl)formamide.
What is the SMILES notation for N-(2-hydroxy-5-nitrophenyl)-N-(1-phenylcyclopentyl)formamide?
The canonical SMILES for N-(2-hydroxy-5-nitrophenyl)-N-(1-phenylcyclopentyl)formamide is O=CN(c1cc([N+](=O)[O-])ccc1O)C1(c2ccccc2)CCCC1.
What is the InChIKey of N-(2-hydroxy-5-nitrophenyl)-N-(1-phenylcyclopentyl)formamide?
The InChIKey is KDPQLBRLIAELHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c21-13-19(16-12-15(20(23)24)8-9-17(16)22)18(10-4-5-11-18)14-6-2-1-3-7-14/h1-3,6-9,12-13,22H,4-5,10-11H2.
What are the key properties of N-(2-hydroxy-5-nitrophenyl)-N-(1-phenylcyclopentyl)formamide?
N-(2-hydroxy-5-nitrophenyl)-N-(1-phenylcyclopentyl)formamide has a molecular weight of 326.35 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-5-nitrophenyl)-N-(1-phenylcyclopentyl)formamide is sourced from PubChem (CID 53446284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).