N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(2-formyl-4-methoxyphenoxy)acetamide

C23H26FNO4 — CID 9199669

IUPACN-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(2-formyl-4-methoxyphenoxy)acetamide
SMILESCOc1ccc(OCC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)c(C=O)c1
InChIInChI=1S/C23H26FNO4/c1-28-21-11-12-22(18(13-21)15-26)29-16-23(27)25(20-5-3-2-4-6-20)14-17-7-9-19(24)10-8-17/h7-13,15,20H,2-6,14,16H2,1H3
InChIKeySDCOCACKTZFWHN-UHFFFAOYSA-N
MW399.46 g/mol
LogP4.39
Rot. Bonds8

About N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(2-formyl-4-methoxyphenoxy)acetamide

N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(2-formyl-4-methoxyphenoxy)acetamide (PubChem CID 9199669) has the molecular formula C23H26FNO4 and a molecular weight of 399.46 g/mol. Its IUPAC name is N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(2-formyl-4-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(2-formyl-4-methoxyphenoxy)acetamide
PubChem CID9199669
Molecular FormulaC23H26FNO4
Molecular Weight399.46 g/mol
Exact Mass399.18
IUPAC NameN-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(2-formyl-4-methoxyphenoxy)acetamide
SMILESCOc1ccc(OCC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)c(C=O)c1
InChIInChI=1S/C23H26FNO4/c1-28-21-11-12-22(18(13-21)15-26)29-16-23(27)25(20-5-3-2-4-6-20)14-17-7-9-19(24)10-8-17/h7-13,15,20H,2-6,14,16H2,1H3
InChIKeySDCOCACKTZFWHN-UHFFFAOYSA-N
XLogP4.39
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.46
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl] 2-hydroxy-5-methoxybenzoate
CID 7571527
2-(2-chloro-4-nitrophenoxy)-N-cyclohexyl-N-[(4-fluorophenyl)methyl]acetamide
CID 18277585
2-[2-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-2-oxoethoxy]-5-methoxybenzaldehyde
CID 22264698
N-cyclopropyl-2-(2,4-dibromophenoxy)-N-[(4-methoxyphenyl)methyl]acetamide
CID 26378786
N-[(3,4-dichlorophenyl)methyl]-2-(2-formyl-4-methoxyphenoxy)-N-methylacetamide
CID 9199652
2-(2-chlorophenoxy)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 78811041
2-(3-chloro-4-fluorophenoxy)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]acetamide
CID 55555870
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-(4-nitrophenoxy)acetamide
CID 18200592
cyclopentyl (2-formyl-4-methoxyphenyl) carbonate
CID 87274069
2-(4-bromo-2-chlorophenoxy)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 46828930
N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(methylamino)acetamide
CID 119688726
2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-N-(2,4-dimethoxyphenyl)acetamide
CID 9300301

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(2-formyl-4-methoxyphenoxy)acetamide?
The IUPAC name of N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(2-formyl-4-methoxyphenoxy)acetamide (CID 9199669) is N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(2-formyl-4-methoxyphenoxy)acetamide.
What is the SMILES notation for N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(2-formyl-4-methoxyphenoxy)acetamide?
The canonical SMILES for N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(2-formyl-4-methoxyphenoxy)acetamide is COc1ccc(OCC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)c(C=O)c1.
What is the InChIKey of N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(2-formyl-4-methoxyphenoxy)acetamide?
The InChIKey is SDCOCACKTZFWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FNO4/c1-28-21-11-12-22(18(13-21)15-26)29-16-23(27)25(20-5-3-2-4-6-20)14-17-7-9-19(24)10-8-17/h7-13,15,20H,2-6,14,16H2,1H3.
What are the key properties of N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(2-formyl-4-methoxyphenoxy)acetamide?
N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(2-formyl-4-methoxyphenoxy)acetamide has a molecular weight of 399.46 g/mol, XLogP of 4.39, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(2-formyl-4-methoxyphenoxy)acetamide is sourced from PubChem (CID 9199669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).