(3-methylcyclohexyl) 2-(4-chloroanilino)acetate

C15H20ClNO2 — CID 61303304

IUPAC(3-methylcyclohexyl) 2-(4-chloroanilino)acetate
SMILESCC1CCCC(OC(=O)CNc2ccc(Cl)cc2)C1
InChIInChI=1S/C15H20ClNO2/c1-11-3-2-4-14(9-11)19-15(18)10-17-13-7-5-12(16)6-8-13/h5-8,11,14,17H,2-4,9-10H2,1H3
InChIKeyDGEQSEOHGOCZFQ-UHFFFAOYSA-N
MW281.78 g/mol
LogP3.87
Rot. Bonds4

About (3-methylcyclohexyl) 2-(4-chloroanilino)acetate

(3-methylcyclohexyl) 2-(4-chloroanilino)acetate (PubChem CID 61303304) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is (3-methylcyclohexyl) 2-(4-chloroanilino)acetate.

Molecular Properties

Compound Name(3-methylcyclohexyl) 2-(4-chloroanilino)acetate
PubChem CID61303304
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name(3-methylcyclohexyl) 2-(4-chloroanilino)acetate
SMILESCC1CCCC(OC(=O)CNc2ccc(Cl)cc2)C1
InChIInChI=1S/C15H20ClNO2/c1-11-3-2-4-14(9-11)19-15(18)10-17-13-7-5-12(16)6-8-13/h5-8,11,14,17H,2-4,9-10H2,1H3
InChIKeyDGEQSEOHGOCZFQ-UHFFFAOYSA-N
XLogP3.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3-methylcyclohexyl) 2-(4-chloroanilino)acetate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-methylcyclohexyl) 2-(4-chloroanilino)acetate?
The IUPAC name of (3-methylcyclohexyl) 2-(4-chloroanilino)acetate (CID 61303304) is (3-methylcyclohexyl) 2-(4-chloroanilino)acetate.
What is the SMILES notation for (3-methylcyclohexyl) 2-(4-chloroanilino)acetate?
The canonical SMILES for (3-methylcyclohexyl) 2-(4-chloroanilino)acetate is CC1CCCC(OC(=O)CNc2ccc(Cl)cc2)C1.
What is the InChIKey of (3-methylcyclohexyl) 2-(4-chloroanilino)acetate?
The InChIKey is DGEQSEOHGOCZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-11-3-2-4-14(9-11)19-15(18)10-17-13-7-5-12(16)6-8-13/h5-8,11,14,17H,2-4,9-10H2,1H3.
What are the key properties of (3-methylcyclohexyl) 2-(4-chloroanilino)acetate?
(3-methylcyclohexyl) 2-(4-chloroanilino)acetate has a molecular weight of 281.78 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylcyclohexyl) 2-(4-chloroanilino)acetate is sourced from PubChem (CID 61303304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).