methyl 2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-2-cyclohexylpropanoate

C18H23ClFNO3 — CID 23374248

IUPACmethyl 2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-2-cyclohexylpropanoate
SMILESCOC(=O)C(C)(NC(=O)Cc1c(F)cccc1Cl)C1CCCCC1
InChIInChI=1S/C18H23ClFNO3/c1-18(17(23)24-2,12-7-4-3-5-8-12)21-16(22)11-13-14(19)9-6-10-15(13)20/h6,9-10,12H,3-5,7-8,11H2,1-2H3,(H,21,22)
InChIKeyCJYJMPGGUFVAKP-UHFFFAOYSA-N
MW355.84 g/mol
LogP3.65
Rot. Bonds5

About methyl 2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-2-cyclohexylpropanoate

methyl 2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-2-cyclohexylpropanoate (PubChem CID 23374248) has the molecular formula C18H23ClFNO3 and a molecular weight of 355.84 g/mol. Its IUPAC name is methyl 2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-2-cyclohexylpropanoate.

Molecular Properties

Compound Namemethyl 2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-2-cyclohexylpropanoate
PubChem CID23374248
Molecular FormulaC18H23ClFNO3
Molecular Weight355.84 g/mol
Exact Mass355.14
IUPAC Namemethyl 2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-2-cyclohexylpropanoate
SMILESCOC(=O)C(C)(NC(=O)Cc1c(F)cccc1Cl)C1CCCCC1
InChIInChI=1S/C18H23ClFNO3/c1-18(17(23)24-2,12-7-4-3-5-8-12)21-16(22)11-13-14(19)9-6-10-15(13)20/h6,9-10,12H,3-5,7-8,11H2,1-2H3,(H,21,22)
InChIKeyCJYJMPGGUFVAKP-UHFFFAOYSA-N
XLogP3.65
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.84
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-2-cyclohexylpropanoate 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

2-(2-chloro-6-fluorophenyl)-N-cyclohexylacetamide
CID 974091
2-(2-chloro-6-fluorophenyl)-N-[(2S)-2-cyclopropyl-2-hydroxypropyl]acetamide
CID 99873881
N-(4-tert-butylcyclohexyl)-2-(2-chloro-6-fluorophenyl)acetamide;carbonic acid
CID 22076120
2-(2-chloro-6-fluorophenyl)-N-(4-hydroxy-2-methylbutan-2-yl)acetamide
CID 113343226
methyl 2-[[2-[2-bromo-6-chloro-4-(trifluoromethoxy)phenyl]acetyl]amino]-2-cyclopropylpropanoate
CID 58052049
(2S)-2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-2-methylbutanoic acid
CID 97161034
N-(4-chlorocyclohexyl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 114297195
N'-acetyl-2-(2-chloro-6-fluorophenyl)acetohydrazide
CID 30905798
N-(2-amino-2-methylpropyl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 81483240
2-(2-chloro-6-fluorophenyl)-N-(4-methylphenyl)acetamide
CID 2112014
2-(2-chloro-6-fluorophenyl)-N-pyrrolidin-3-ylacetamide
CID 55068411
2-(2-chloro-6-fluorophenyl)-N-[[2-(chloromethyl)cyclohexyl]methyl]acetamide
CID 114307086

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-2-cyclohexylpropanoate?
The IUPAC name of methyl 2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-2-cyclohexylpropanoate (CID 23374248) is methyl 2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-2-cyclohexylpropanoate.
What is the SMILES notation for methyl 2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-2-cyclohexylpropanoate?
The canonical SMILES for methyl 2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-2-cyclohexylpropanoate is COC(=O)C(C)(NC(=O)Cc1c(F)cccc1Cl)C1CCCCC1.
What is the InChIKey of methyl 2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-2-cyclohexylpropanoate?
The InChIKey is CJYJMPGGUFVAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClFNO3/c1-18(17(23)24-2,12-7-4-3-5-8-12)21-16(22)11-13-14(19)9-6-10-15(13)20/h6,9-10,12H,3-5,7-8,11H2,1-2H3,(H,21,22).
What are the key properties of methyl 2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-2-cyclohexylpropanoate?
methyl 2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-2-cyclohexylpropanoate has a molecular weight of 355.84 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-2-cyclohexylpropanoate is sourced from PubChem (CID 23374248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).