2-(4-chloro-3-nitrophenoxy)-N-[4-[3-(4-methylphenoxy)-2-oxopropyl]cyclohexyl]acetamide

C24H27ClN2O6 — CID 158031609

IUPAC2-(4-chloro-3-nitrophenoxy)-N-[4-[3-(4-methylphenoxy)-2-oxopropyl]cyclohexyl]acetamide
SMILESCc1ccc(OCC(=O)CC2CCC(NC(=O)COc3ccc(Cl)c([N+](=O)[O-])c3)CC2)cc1
InChIInChI=1S/C24H27ClN2O6/c1-16-2-8-20(9-3-16)32-14-19(28)12-17-4-6-18(7-5-17)26-24(29)15-33-21-10-11-22(25)23(13-21)27(30)31/h2-3,8-11,13,17-18H,4-7,12,14-15H2,1H3,(H,26,29)
InChIKeyFAZQIHYGIWIPGU-UHFFFAOYSA-N
MW474.94 g/mol
LogP4.65
Rot. Bonds10

About 2-(4-chloro-3-nitrophenoxy)-N-[4-[3-(4-methylphenoxy)-2-oxopropyl]cyclohexyl]acetamide

2-(4-chloro-3-nitrophenoxy)-N-[4-[3-(4-methylphenoxy)-2-oxopropyl]cyclohexyl]acetamide (PubChem CID 158031609) has the molecular formula C24H27ClN2O6 and a molecular weight of 474.94 g/mol. Its IUPAC name is 2-(4-chloro-3-nitrophenoxy)-N-[4-[3-(4-methylphenoxy)-2-oxopropyl]cyclohexyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-nitrophenoxy)-N-[4-[3-(4-methylphenoxy)-2-oxopropyl]cyclohexyl]acetamide
PubChem CID158031609
Molecular FormulaC24H27ClN2O6
Molecular Weight474.94 g/mol
Exact Mass474.16
IUPAC Name2-(4-chloro-3-nitrophenoxy)-N-[4-[3-(4-methylphenoxy)-2-oxopropyl]cyclohexyl]acetamide
SMILESCc1ccc(OCC(=O)CC2CCC(NC(=O)COc3ccc(Cl)c([N+](=O)[O-])c3)CC2)cc1
InChIInChI=1S/C24H27ClN2O6/c1-16-2-8-20(9-3-16)32-14-19(28)12-17-4-6-18(7-5-17)26-24(29)15-33-21-10-11-22(25)23(13-21)27(30)31/h2-3,8-11,13,17-18H,4-7,12,14-15H2,1H3,(H,26,29)
InChIKeyFAZQIHYGIWIPGU-UHFFFAOYSA-N
XLogP4.65
TPSA107.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.94
LogP ≤ 54.65
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-iodophenoxy)-N-[4-[3-(4-methylphenoxy)-2-oxopropyl]cyclohexyl]acetamide
CID 159066552
2-(3-chloro-4-nitrophenoxy)-N-cyclohexylacetamide
CID 78977054
2-(4-chlorophenoxy)-N-[4-[3-(3,5-difluorophenoxy)-2-oxopropyl]cyclohexyl]acetamide
CID 149043391
2-(3-chloro-4-nitrophenoxy)-N-(oxan-4-yl)acetamide
CID 78924749
N-[4-[2-oxo-3-[4-(trifluoromethyl)phenoxy]propyl]cyclohexyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 147640243
N-(4-aminocyclohexyl)-2-(4-methylphenoxy)acetamide;hydrochloride
CID 119474987
N-cyclododecyl-2-(4-methylphenoxy)acetamide
CID 2788426
N-[4-[2-oxo-3-[4-(2-trimethylsilylethynyl)phenoxy]propyl]cyclohexyl]-2-[4-(2-trimethylsilylethynyl)phenoxy]acetamide
CID 153167840
2-(3-chloro-4-nitrophenoxy)-N-(cyclopropylmethyl)acetamide
CID 47443106
2-[4-chloro-3-[3-(trifluoromethyl)diazirin-3-yl]phenoxy]-N-[4-[3-(4-ethynylphenoxy)-2-oxopropyl]cyclohexyl]acetamide
CID 157410225
N-cyclohexyl-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 720119
N-cyclopropyl-2-(3-nitrophenoxy)acetamide
CID 7865440

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-nitrophenoxy)-N-[4-[3-(4-methylphenoxy)-2-oxopropyl]cyclohexyl]acetamide?
The IUPAC name of 2-(4-chloro-3-nitrophenoxy)-N-[4-[3-(4-methylphenoxy)-2-oxopropyl]cyclohexyl]acetamide (CID 158031609) is 2-(4-chloro-3-nitrophenoxy)-N-[4-[3-(4-methylphenoxy)-2-oxopropyl]cyclohexyl]acetamide.
What is the SMILES notation for 2-(4-chloro-3-nitrophenoxy)-N-[4-[3-(4-methylphenoxy)-2-oxopropyl]cyclohexyl]acetamide?
The canonical SMILES for 2-(4-chloro-3-nitrophenoxy)-N-[4-[3-(4-methylphenoxy)-2-oxopropyl]cyclohexyl]acetamide is Cc1ccc(OCC(=O)CC2CCC(NC(=O)COc3ccc(Cl)c([N+](=O)[O-])c3)CC2)cc1.
What is the InChIKey of 2-(4-chloro-3-nitrophenoxy)-N-[4-[3-(4-methylphenoxy)-2-oxopropyl]cyclohexyl]acetamide?
The InChIKey is FAZQIHYGIWIPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN2O6/c1-16-2-8-20(9-3-16)32-14-19(28)12-17-4-6-18(7-5-17)26-24(29)15-33-21-10-11-22(25)23(13-21)27(30)31/h2-3,8-11,13,17-18H,4-7,12,14-15H2,1H3,(H,26,29).
What are the key properties of 2-(4-chloro-3-nitrophenoxy)-N-[4-[3-(4-methylphenoxy)-2-oxopropyl]cyclohexyl]acetamide?
2-(4-chloro-3-nitrophenoxy)-N-[4-[3-(4-methylphenoxy)-2-oxopropyl]cyclohexyl]acetamide has a molecular weight of 474.94 g/mol, XLogP of 4.65, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-nitrophenoxy)-N-[4-[3-(4-methylphenoxy)-2-oxopropyl]cyclohexyl]acetamide is sourced from PubChem (CID 158031609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).