methyl 4-[[2-(3-fluorophenyl)acetyl]amino]cyclohexane-1-carboxylate

C16H20FNO3 — CID 115617162

IUPACmethyl 4-[[2-(3-fluorophenyl)acetyl]amino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(NC(=O)Cc2cccc(F)c2)CC1
InChIInChI=1S/C16H20FNO3/c1-21-16(20)12-5-7-14(8-6-12)18-15(19)10-11-3-2-4-13(17)9-11/h2-4,9,12,14H,5-8,10H2,1H3,(H,18,19)
InChIKeyOXDXJDOPVGHDPV-UHFFFAOYSA-N
MW293.34 g/mol
LogP2.22
Rot. Bonds4

About methyl 4-[[2-(3-fluorophenyl)acetyl]amino]cyclohexane-1-carboxylate

methyl 4-[[2-(3-fluorophenyl)acetyl]amino]cyclohexane-1-carboxylate (PubChem CID 115617162) has the molecular formula C16H20FNO3 and a molecular weight of 293.34 g/mol. Its IUPAC name is methyl 4-[[2-(3-fluorophenyl)acetyl]amino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[2-(3-fluorophenyl)acetyl]amino]cyclohexane-1-carboxylate
PubChem CID115617162
Molecular FormulaC16H20FNO3
Molecular Weight293.34 g/mol
Exact Mass293.14
IUPAC Namemethyl 4-[[2-(3-fluorophenyl)acetyl]amino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(NC(=O)Cc2cccc(F)c2)CC1
InChIInChI=1S/C16H20FNO3/c1-21-16(20)12-5-7-14(8-6-12)18-15(19)10-11-3-2-4-13(17)9-11/h2-4,9,12,14H,5-8,10H2,1H3,(H,18,19)
InChIKeyOXDXJDOPVGHDPV-UHFFFAOYSA-N
XLogP2.22
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 4-[[2-(3-fluorophenyl)acetyl]amino]cyclohexane-1-carboxylate 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

4-[[2-(3-fluorophenyl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 60808861
N-(4-chlorocyclohexyl)-2-(3-fluorophenyl)acetamide
CID 114296854
2-(3-fluorophenyl)-N-(4-methylcyclohexyl)acetamide
CID 78786047
N-(4-aminocyclohexyl)-2-(3-fluorophenyl)acetamide;hydrochloride
CID 119260253
N-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]propanamide
CID 110822825
2-(3-fluorophenyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]acetamide
CID 32541358
2-(3-methoxyphenyl)-N-[4-(methylamino)cyclohexyl]acetamide
CID 43653164
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-(3-fluorophenyl)acetate
CID 8589718
N-(1,1-dioxothiolan-3-yl)-2-(3-fluorophenyl)acetamide
CID 51240347
N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(3-fluorophenyl)acetamide
CID 110822279
2-(3-fluorophenyl)-N-[1-(3-methylbutanoyl)piperidin-4-yl]acetamide
CID 51093724
methyl 1-[2-(3-fluorophenyl)acetyl]piperidine-3-carboxylate
CID 78919144

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-(3-fluorophenyl)acetyl]amino]cyclohexane-1-carboxylate?
The IUPAC name of methyl 4-[[2-(3-fluorophenyl)acetyl]amino]cyclohexane-1-carboxylate (CID 115617162) is methyl 4-[[2-(3-fluorophenyl)acetyl]amino]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-[[2-(3-fluorophenyl)acetyl]amino]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-[[2-(3-fluorophenyl)acetyl]amino]cyclohexane-1-carboxylate is COC(=O)C1CCC(NC(=O)Cc2cccc(F)c2)CC1.
What is the InChIKey of methyl 4-[[2-(3-fluorophenyl)acetyl]amino]cyclohexane-1-carboxylate?
The InChIKey is OXDXJDOPVGHDPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO3/c1-21-16(20)12-5-7-14(8-6-12)18-15(19)10-11-3-2-4-13(17)9-11/h2-4,9,12,14H,5-8,10H2,1H3,(H,18,19).
What are the key properties of methyl 4-[[2-(3-fluorophenyl)acetyl]amino]cyclohexane-1-carboxylate?
methyl 4-[[2-(3-fluorophenyl)acetyl]amino]cyclohexane-1-carboxylate has a molecular weight of 293.34 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-(3-fluorophenyl)acetyl]amino]cyclohexane-1-carboxylate is sourced from PubChem (CID 115617162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).