N-(cyclohexen-1-yl)-N-cyclopropyl-2-(5-fluoro-2-nitrophenoxy)acetamide

C17H19FN2O4 — CID 8520574

IUPACN-(cyclohexen-1-yl)-N-cyclopropyl-2-(5-fluoro-2-nitrophenoxy)acetamide
SMILESO=C(COc1cc(F)ccc1[N+](=O)[O-])N(C1=CCCCC1)C1CC1
InChIInChI=1S/C17H19FN2O4/c18-12-6-9-15(20(22)23)16(10-12)24-11-17(21)19(14-7-8-14)13-4-2-1-3-5-13/h4,6,9-10,14H,1-3,5,7-8,11H2
InChIKeyAKNOHMNVRAOKQB-UHFFFAOYSA-N
MW334.35 g/mol
LogP3.56
Rot. Bonds6

About N-(cyclohexen-1-yl)-N-cyclopropyl-2-(5-fluoro-2-nitrophenoxy)acetamide

N-(cyclohexen-1-yl)-N-cyclopropyl-2-(5-fluoro-2-nitrophenoxy)acetamide (PubChem CID 8520574) has the molecular formula C17H19FN2O4 and a molecular weight of 334.35 g/mol. Its IUPAC name is N-(cyclohexen-1-yl)-N-cyclopropyl-2-(5-fluoro-2-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-(cyclohexen-1-yl)-N-cyclopropyl-2-(5-fluoro-2-nitrophenoxy)acetamide
PubChem CID8520574
Molecular FormulaC17H19FN2O4
Molecular Weight334.35 g/mol
Exact Mass334.13
IUPAC NameN-(cyclohexen-1-yl)-N-cyclopropyl-2-(5-fluoro-2-nitrophenoxy)acetamide
SMILESO=C(COc1cc(F)ccc1[N+](=O)[O-])N(C1=CCCCC1)C1CC1
InChIInChI=1S/C17H19FN2O4/c18-12-6-9-15(20(22)23)16(10-12)24-11-17(21)19(14-7-8-14)13-4-2-1-3-5-13/h4,6,9-10,14H,1-3,5,7-8,11H2
InChIKeyAKNOHMNVRAOKQB-UHFFFAOYSA-N
XLogP3.56
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 53.56
H-Bond Donors ≤ 50
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

[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl] 4-methylsulfanyl-3-nitrobenzoate
CID 8566993
1-cyclopropyl-2-(5-fluoro-2-nitrophenoxy)ethanone
CID 63903263
N-[(3R)-1,1-dioxothiolan-3-yl]-2-(5-fluoro-2-nitrophenoxy)-N-methylacetamide
CID 2638344
N-[(4-ethylphenyl)methyl]-2-(5-fluoro-2-nitrophenoxy)-N-methylacetamide
CID 60608890
2-(5-fluoro-2-nitrophenoxy)-N-methyl-N-propan-2-ylacetamide
CID 78911810
2-(cyclohexylmethoxy)-4-fluoro-1-nitrobenzene
CID 58735850
N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 6601102
2-(5-fluoro-2-nitrophenoxy)-N-methyl-N-phenylacetamide
CID 2690888
2-(5-fluoro-2-nitrophenoxy)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide
CID 24570004
N-(dicyclopropylmethyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 29469200
2-bromo-N-(cyclohexen-1-yl)-N-cyclopropylacetamide
CID 81222527
2-(5-fluoro-2-nitrophenoxy)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 87018491

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexen-1-yl)-N-cyclopropyl-2-(5-fluoro-2-nitrophenoxy)acetamide?
The IUPAC name of N-(cyclohexen-1-yl)-N-cyclopropyl-2-(5-fluoro-2-nitrophenoxy)acetamide (CID 8520574) is N-(cyclohexen-1-yl)-N-cyclopropyl-2-(5-fluoro-2-nitrophenoxy)acetamide.
What is the SMILES notation for N-(cyclohexen-1-yl)-N-cyclopropyl-2-(5-fluoro-2-nitrophenoxy)acetamide?
The canonical SMILES for N-(cyclohexen-1-yl)-N-cyclopropyl-2-(5-fluoro-2-nitrophenoxy)acetamide is O=C(COc1cc(F)ccc1[N+](=O)[O-])N(C1=CCCCC1)C1CC1.
What is the InChIKey of N-(cyclohexen-1-yl)-N-cyclopropyl-2-(5-fluoro-2-nitrophenoxy)acetamide?
The InChIKey is AKNOHMNVRAOKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O4/c18-12-6-9-15(20(22)23)16(10-12)24-11-17(21)19(14-7-8-14)13-4-2-1-3-5-13/h4,6,9-10,14H,1-3,5,7-8,11H2.
What are the key properties of N-(cyclohexen-1-yl)-N-cyclopropyl-2-(5-fluoro-2-nitrophenoxy)acetamide?
N-(cyclohexen-1-yl)-N-cyclopropyl-2-(5-fluoro-2-nitrophenoxy)acetamide has a molecular weight of 334.35 g/mol, XLogP of 3.56, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexen-1-yl)-N-cyclopropyl-2-(5-fluoro-2-nitrophenoxy)acetamide is sourced from PubChem (CID 8520574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).