4-nitro-N-(4-pyrimidin-2-yloxycyclohexyl)benzamide

C17H18N4O4 — CID 90633273

IUPAC4-nitro-N-(4-pyrimidin-2-yloxycyclohexyl)benzamide
SMILESO=C(NC1CCC(Oc2ncccn2)CC1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H18N4O4/c22-16(12-2-6-14(7-3-12)21(23)24)20-13-4-8-15(9-5-13)25-17-18-10-1-11-19-17/h1-3,6-7,10-11,13,15H,4-5,8-9H2,(H,20,22)
InChIKeyBFLHMWAISCHJDY-UHFFFAOYSA-N
MW342.36 g/mol
LogP2.50
Rot. Bonds5

About 4-nitro-N-(4-pyrimidin-2-yloxycyclohexyl)benzamide

4-nitro-N-(4-pyrimidin-2-yloxycyclohexyl)benzamide (PubChem CID 90633273) has the molecular formula C17H18N4O4 and a molecular weight of 342.36 g/mol. Its IUPAC name is 4-nitro-N-(4-pyrimidin-2-yloxycyclohexyl)benzamide.

Molecular Properties

Compound Name4-nitro-N-(4-pyrimidin-2-yloxycyclohexyl)benzamide
PubChem CID90633273
Molecular FormulaC17H18N4O4
Molecular Weight342.36 g/mol
Exact Mass342.13
IUPAC Name4-nitro-N-(4-pyrimidin-2-yloxycyclohexyl)benzamide
SMILESO=C(NC1CCC(Oc2ncccn2)CC1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H18N4O4/c22-16(12-2-6-14(7-3-12)21(23)24)20-13-4-8-15(9-5-13)25-17-18-10-1-11-19-17/h1-3,6-7,10-11,13,15H,4-5,8-9H2,(H,20,22)
InChIKeyBFLHMWAISCHJDY-UHFFFAOYSA-N
XLogP2.50
TPSA107.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

2-(4-nitrophenyl)-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide
CID 90633306
N-(4-pyrimidin-2-yloxycyclohexyl)naphthalene-2-carboxamide
CID 90633284
N-cyclododecyl-4-nitrobenzamide
CID 19168070
4-piperidin-1-ylsulfonyl-N-(4-pyrimidin-2-yloxycyclohexyl)benzamide
CID 90633315
N-(4-pyrimidin-2-yloxycyclohexyl)quinoxaline-2-carboxamide
CID 90633350
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]benzamide
CID 90633673
5-chloro-N-(4-pyrimidin-2-yloxycyclohexyl)thiophene-2-carboxamide
CID 91626280
N-(4-pyrimidin-2-yloxycyclohexyl)-1H-1,2,4-triazole-5-carboxamide
CID 90633421
N-(4-pyrimidin-2-yloxycyclohexyl)-2-(trifluoromethyl)benzamide
CID 90633279
6-oxo-N-(4-pyrimidin-2-yloxycyclohexyl)-1H-pyridazine-3-carboxamide
CID 90633191
2-methylsulfanyl-N-(4-pyrimidin-2-yloxycyclohexyl)benzamide
CID 90633334
N-(4-pyrimidin-2-yloxycyclohexyl)cyclopentanecarboxamide
CID 90633226

Frequently Asked Questions

What is the IUPAC name of 4-nitro-N-(4-pyrimidin-2-yloxycyclohexyl)benzamide?
The IUPAC name of 4-nitro-N-(4-pyrimidin-2-yloxycyclohexyl)benzamide (CID 90633273) is 4-nitro-N-(4-pyrimidin-2-yloxycyclohexyl)benzamide.
What is the SMILES notation for 4-nitro-N-(4-pyrimidin-2-yloxycyclohexyl)benzamide?
The canonical SMILES for 4-nitro-N-(4-pyrimidin-2-yloxycyclohexyl)benzamide is O=C(NC1CCC(Oc2ncccn2)CC1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 4-nitro-N-(4-pyrimidin-2-yloxycyclohexyl)benzamide?
The InChIKey is BFLHMWAISCHJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O4/c22-16(12-2-6-14(7-3-12)21(23)24)20-13-4-8-15(9-5-13)25-17-18-10-1-11-19-17/h1-3,6-7,10-11,13,15H,4-5,8-9H2,(H,20,22).
What are the key properties of 4-nitro-N-(4-pyrimidin-2-yloxycyclohexyl)benzamide?
4-nitro-N-(4-pyrimidin-2-yloxycyclohexyl)benzamide has a molecular weight of 342.36 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-N-(4-pyrimidin-2-yloxycyclohexyl)benzamide is sourced from PubChem (CID 90633273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).