N-[5-[[2-(2,5-dimethoxyphenyl)acetyl]amino]-2-fluorophenyl]cyclohexanecarboxamide

C23H27FN2O4 — CID 78878919

IUPACN-[5-[[2-(2,5-dimethoxyphenyl)acetyl]amino]-2-fluorophenyl]cyclohexanecarboxamide
SMILESCOc1ccc(OC)c(CC(=O)Nc2ccc(F)c(NC(=O)C3CCCCC3)c2)c1
InChIInChI=1S/C23H27FN2O4/c1-29-18-9-11-21(30-2)16(12-18)13-22(27)25-17-8-10-19(24)20(14-17)26-23(28)15-6-4-3-5-7-15/h8-12,14-15H,3-7,13H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyVBGNWBKSONWMKM-UHFFFAOYSA-N
MW414.48 g/mol
LogP4.54
Rot. Bonds7

About N-[5-[[2-(2,5-dimethoxyphenyl)acetyl]amino]-2-fluorophenyl]cyclohexanecarboxamide

N-[5-[[2-(2,5-dimethoxyphenyl)acetyl]amino]-2-fluorophenyl]cyclohexanecarboxamide (PubChem CID 78878919) has the molecular formula C23H27FN2O4 and a molecular weight of 414.48 g/mol. Its IUPAC name is N-[5-[[2-(2,5-dimethoxyphenyl)acetyl]amino]-2-fluorophenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[5-[[2-(2,5-dimethoxyphenyl)acetyl]amino]-2-fluorophenyl]cyclohexanecarboxamide
PubChem CID78878919
Molecular FormulaC23H27FN2O4
Molecular Weight414.48 g/mol
Exact Mass414.20
IUPAC NameN-[5-[[2-(2,5-dimethoxyphenyl)acetyl]amino]-2-fluorophenyl]cyclohexanecarboxamide
SMILESCOc1ccc(OC)c(CC(=O)Nc2ccc(F)c(NC(=O)C3CCCCC3)c2)c1
InChIInChI=1S/C23H27FN2O4/c1-29-18-9-11-21(30-2)16(12-18)13-22(27)25-17-8-10-19(24)20(14-17)26-23(28)15-6-4-3-5-7-15/h8-12,14-15H,3-7,13H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyVBGNWBKSONWMKM-UHFFFAOYSA-N
XLogP4.54
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.48
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[5-[[2-(2,5-dimethoxyphenyl)acetyl]amino]-2-fluorophenyl]cyclohexanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-chlorophenyl)-2-(2,5-dimethoxyphenyl)acetamide
CID 78804409
N-[5-(3-aminopropanoylamino)-2-fluorophenyl]cyclohexanecarboxamide;hydrochloride
CID 119282872
N-[5-[[(E)-3-(3,5-dimethoxyphenyl)prop-2-enoyl]amino]-2-fluorophenyl]cyclohexanecarboxamide
CID 55776961
2-(2,5-dimethoxyphenyl)-N-(3,4-dimethylphenyl)acetamide
CID 78804402
N-(5-acetamido-2-fluorophenyl)cyclobutanecarboxamide
CID 46429163
N-[3-(cyclohexanecarbonylamino)-4-methoxyphenyl]-3,5-dimethoxybenzamide
CID 51370675
2-(2,5-dimethoxyphenyl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 78804056
N-cycloheptyl-2-(2,5-dimethoxyphenyl)acetamide
CID 7580886
N-[2-fluoro-5-[(2-hydroxy-2-methylpropanoyl)amino]phenyl]cyclohexanecarboxamide
CID 100629802
N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]piperidine-4-carboxamide;hydrochloride
CID 119282876
2-(2,5-dimethoxyphenyl)-N-naphthalen-2-ylacetamide
CID 78804408
N-[5-(3-cyclopentylsulfonylpropanoylamino)-2-fluorophenyl]cyclohexanecarboxamide
CID 47047282

Frequently Asked Questions

What is the IUPAC name of N-[5-[[2-(2,5-dimethoxyphenyl)acetyl]amino]-2-fluorophenyl]cyclohexanecarboxamide?
The IUPAC name of N-[5-[[2-(2,5-dimethoxyphenyl)acetyl]amino]-2-fluorophenyl]cyclohexanecarboxamide (CID 78878919) is N-[5-[[2-(2,5-dimethoxyphenyl)acetyl]amino]-2-fluorophenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[5-[[2-(2,5-dimethoxyphenyl)acetyl]amino]-2-fluorophenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[5-[[2-(2,5-dimethoxyphenyl)acetyl]amino]-2-fluorophenyl]cyclohexanecarboxamide is COc1ccc(OC)c(CC(=O)Nc2ccc(F)c(NC(=O)C3CCCCC3)c2)c1.
What is the InChIKey of N-[5-[[2-(2,5-dimethoxyphenyl)acetyl]amino]-2-fluorophenyl]cyclohexanecarboxamide?
The InChIKey is VBGNWBKSONWMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O4/c1-29-18-9-11-21(30-2)16(12-18)13-22(27)25-17-8-10-19(24)20(14-17)26-23(28)15-6-4-3-5-7-15/h8-12,14-15H,3-7,13H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of N-[5-[[2-(2,5-dimethoxyphenyl)acetyl]amino]-2-fluorophenyl]cyclohexanecarboxamide?
N-[5-[[2-(2,5-dimethoxyphenyl)acetyl]amino]-2-fluorophenyl]cyclohexanecarboxamide has a molecular weight of 414.48 g/mol, XLogP of 4.54, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[2-(2,5-dimethoxyphenyl)acetyl]amino]-2-fluorophenyl]cyclohexanecarboxamide is sourced from PubChem (CID 78878919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).