N-(4-chlorophenyl)-4-cyclooctyl-5-nitrooxolane-2-carboxamide

C19H25ClN2O4 — CID 126547642

IUPACN-(4-chlorophenyl)-4-cyclooctyl-5-nitrooxolane-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)C1CC(C2CCCCCCC2)C([N+](=O)[O-])O1
InChIInChI=1S/C19H25ClN2O4/c20-14-8-10-15(11-9-14)21-18(23)17-12-16(19(26-17)22(24)25)13-6-4-2-1-3-5-7-13/h8-11,13,16-17,19H,1-7,12H2,(H,21,23)
InChIKeyALVQOXBCZCJNQY-UHFFFAOYSA-N
MW380.87 g/mol
LogP4.65
Rot. Bonds4

About N-(4-chlorophenyl)-4-cyclooctyl-5-nitrooxolane-2-carboxamide

N-(4-chlorophenyl)-4-cyclooctyl-5-nitrooxolane-2-carboxamide (PubChem CID 126547642) has the molecular formula C19H25ClN2O4 and a molecular weight of 380.87 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-cyclooctyl-5-nitrooxolane-2-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-cyclooctyl-5-nitrooxolane-2-carboxamide
PubChem CID126547642
Molecular FormulaC19H25ClN2O4
Molecular Weight380.87 g/mol
Exact Mass380.15
IUPAC NameN-(4-chlorophenyl)-4-cyclooctyl-5-nitrooxolane-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)C1CC(C2CCCCCCC2)C([N+](=O)[O-])O1
InChIInChI=1S/C19H25ClN2O4/c20-14-8-10-15(11-9-14)21-18(23)17-12-16(19(26-17)22(24)25)13-6-4-2-1-3-5-7-13/h8-11,13,16-17,19H,1-7,12H2,(H,21,23)
InChIKeyALVQOXBCZCJNQY-UHFFFAOYSA-N
XLogP4.65
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.87
LogP ≤ 54.65
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

4-cyclooctyl-N-[4-(4-nitrophenyl)phenyl]oxolane-2-carboxamide
CID 126547415
1-N-(4-chlorophenyl)-2-N-cyclopentylcyclopropane-1,2-dicarboxamide
CID 109132096
1-(4-chlorophenyl)-3-cyclododecylurea
CID 19165021
N-(3-chloro-4-fluorophenyl)-1-nitro-2-oxaspiro[4.7]dodecane-3-carboxamide
CID 126547277
(1R,2S,4S,5R)-N-(4-chlorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 98136697
(1S,2R,4R,5S)-N-(4-chlorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 98252305
N-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carbonylamino)phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxamide
CID 171576977
N-(4-chlorophenyl)-2-oxocyclohexane-1-carboxamide
CID 581272
N'-(4-chlorophenyl)-N-cyclohexylpropanediamide
CID 108942605
1-N-tert-butyl-2-N-(4-chlorophenyl)cyclopropane-1,2-dicarboxamide
CID 109139614
(2R,5S)-5-[(6-chloro-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid
CID 102945567
trans-(1S,2S)-N-(4-chlorophenyl)-2-methylcyclopropane-1-carboxamide
CID 2553201

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-cyclooctyl-5-nitrooxolane-2-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-4-cyclooctyl-5-nitrooxolane-2-carboxamide (CID 126547642) is N-(4-chlorophenyl)-4-cyclooctyl-5-nitrooxolane-2-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-cyclooctyl-5-nitrooxolane-2-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-4-cyclooctyl-5-nitrooxolane-2-carboxamide is O=C(Nc1ccc(Cl)cc1)C1CC(C2CCCCCCC2)C([N+](=O)[O-])O1.
What is the InChIKey of N-(4-chlorophenyl)-4-cyclooctyl-5-nitrooxolane-2-carboxamide?
The InChIKey is ALVQOXBCZCJNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN2O4/c20-14-8-10-15(11-9-14)21-18(23)17-12-16(19(26-17)22(24)25)13-6-4-2-1-3-5-7-13/h8-11,13,16-17,19H,1-7,12H2,(H,21,23).
What are the key properties of N-(4-chlorophenyl)-4-cyclooctyl-5-nitrooxolane-2-carboxamide?
N-(4-chlorophenyl)-4-cyclooctyl-5-nitrooxolane-2-carboxamide has a molecular weight of 380.87 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-cyclooctyl-5-nitrooxolane-2-carboxamide is sourced from PubChem (CID 126547642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).