ethyl 2-cyclohexyl-2-(4-fluoroanilino)acetate

C16H22FNO2 — CID 60992345

IUPACethyl 2-cyclohexyl-2-(4-fluoroanilino)acetate
SMILESCCOC(=O)C(Nc1ccc(F)cc1)C1CCCCC1
InChIInChI=1S/C16H22FNO2/c1-2-20-16(19)15(12-6-4-3-5-7-12)18-14-10-8-13(17)9-11-14/h8-12,15,18H,2-7H2,1H3
InChIKeyYSHZSNGKQSCBLA-UHFFFAOYSA-N
MW279.36 g/mol
LogP3.75
Rot. Bonds5

About ethyl 2-cyclohexyl-2-(4-fluoroanilino)acetate

ethyl 2-cyclohexyl-2-(4-fluoroanilino)acetate (PubChem CID 60992345) has the molecular formula C16H22FNO2 and a molecular weight of 279.36 g/mol. Its IUPAC name is ethyl 2-cyclohexyl-2-(4-fluoroanilino)acetate.

Molecular Properties

Compound Nameethyl 2-cyclohexyl-2-(4-fluoroanilino)acetate
PubChem CID60992345
Molecular FormulaC16H22FNO2
Molecular Weight279.36 g/mol
Exact Mass279.16
IUPAC Nameethyl 2-cyclohexyl-2-(4-fluoroanilino)acetate
SMILESCCOC(=O)C(Nc1ccc(F)cc1)C1CCCCC1
InChIInChI=1S/C16H22FNO2/c1-2-20-16(19)15(12-6-4-3-5-7-12)18-14-10-8-13(17)9-11-14/h8-12,15,18H,2-7H2,1H3
InChIKeyYSHZSNGKQSCBLA-UHFFFAOYSA-N
XLogP3.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 2-cyclohexyl-2-(4-fluoroanilino)acetate 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

Melphalan Flufenamide
CID 9935639
[(4-Fluorophenyl)carbamoyl]methyl 3-cyclopentylpropanoate
CID 2338160
Melphalan Flufenamide Hydrochloride
CID 70675838
methyl N-{3-methyl-5-[(4-methylphenyl)amino]-5-oxopentanoyl}phenylalaninate
CID 16467950
1-(4-Fluoroanilino)-1-oxopropan-2-yl cyclohexylacetate
CID 24979310
Methyl 1,2,3,4-tetrahydroquinoline-2-carboxylate
CID 2736972
Diethyl [anilino(phenyl)methyl]malonate
CID 2899272
[2-(3-Fluoroanilino)-2-oxoethyl] cyclohexanecarboxylate
CID 2370397
[2-(3-Fluoroanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
CID 2547225
(2-Anilino-2-oxoethyl) 2-(cyclohexanecarbonylamino)acetate
CID 2547365
1-[(4-Fluorophenyl)carbamoyl]ethyl 3-cyclopentylpropanoate
CID 78536183
1-[(4-Fluorophenyl)carbamoyl]propyl 3-cyclopentylpropanoate
CID 118256652

Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyclohexyl-2-(4-fluoroanilino)acetate?
The IUPAC name of ethyl 2-cyclohexyl-2-(4-fluoroanilino)acetate (CID 60992345) is ethyl 2-cyclohexyl-2-(4-fluoroanilino)acetate.
What is the SMILES notation for ethyl 2-cyclohexyl-2-(4-fluoroanilino)acetate?
The canonical SMILES for ethyl 2-cyclohexyl-2-(4-fluoroanilino)acetate is CCOC(=O)C(Nc1ccc(F)cc1)C1CCCCC1.
What is the InChIKey of ethyl 2-cyclohexyl-2-(4-fluoroanilino)acetate?
The InChIKey is YSHZSNGKQSCBLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO2/c1-2-20-16(19)15(12-6-4-3-5-7-12)18-14-10-8-13(17)9-11-14/h8-12,15,18H,2-7H2,1H3.
What are the key properties of ethyl 2-cyclohexyl-2-(4-fluoroanilino)acetate?
ethyl 2-cyclohexyl-2-(4-fluoroanilino)acetate has a molecular weight of 279.36 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyclohexyl-2-(4-fluoroanilino)acetate is sourced from PubChem (CID 60992345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).