2-(N-acetyl-2,4-dimethoxyanilino)-N-cyclopentyl-2-(2-fluorophenyl)acetamide

C23H27FN2O4 — CID 44590403

IUPAC2-(N-acetyl-2,4-dimethoxyanilino)-N-cyclopentyl-2-(2-fluorophenyl)acetamide
SMILESCOc1ccc(N(C(C)=O)C(C(=O)NC2CCCC2)c2ccccc2F)c(OC)c1
InChIInChI=1S/C23H27FN2O4/c1-15(27)26(20-13-12-17(29-2)14-21(20)30-3)22(18-10-6-7-11-19(18)24)23(28)25-16-8-4-5-9-16/h6-7,10-14,16,22H,4-5,8-9H2,1-3H3,(H,25,28)
InChIKeyXYAZHOGSJDVHKT-UHFFFAOYSA-N
MW414.48 g/mol
LogP4.00
Rot. Bonds7

About 2-(N-acetyl-2,4-dimethoxyanilino)-N-cyclopentyl-2-(2-fluorophenyl)acetamide

2-(N-acetyl-2,4-dimethoxyanilino)-N-cyclopentyl-2-(2-fluorophenyl)acetamide (PubChem CID 44590403) has the molecular formula C23H27FN2O4 and a molecular weight of 414.48 g/mol. Its IUPAC name is 2-(N-acetyl-2,4-dimethoxyanilino)-N-cyclopentyl-2-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-2,4-dimethoxyanilino)-N-cyclopentyl-2-(2-fluorophenyl)acetamide
PubChem CID44590403
Molecular FormulaC23H27FN2O4
Molecular Weight414.48 g/mol
Exact Mass414.20
IUPAC Name2-(N-acetyl-2,4-dimethoxyanilino)-N-cyclopentyl-2-(2-fluorophenyl)acetamide
SMILESCOc1ccc(N(C(C)=O)C(C(=O)NC2CCCC2)c2ccccc2F)c(OC)c1
InChIInChI=1S/C23H27FN2O4/c1-15(27)26(20-13-12-17(29-2)14-21(20)30-3)22(18-10-6-7-11-19(18)24)23(28)25-16-8-4-5-9-16/h6-7,10-14,16,22H,4-5,8-9H2,1-3H3,(H,25,28)
InChIKeyXYAZHOGSJDVHKT-UHFFFAOYSA-N
XLogP4.00
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.48
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-2,4-dimethoxyanilino)-N-cyclopentyl-2-(2-fluorophenyl)acetamide?
The IUPAC name of 2-(N-acetyl-2,4-dimethoxyanilino)-N-cyclopentyl-2-(2-fluorophenyl)acetamide (CID 44590403) is 2-(N-acetyl-2,4-dimethoxyanilino)-N-cyclopentyl-2-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-2,4-dimethoxyanilino)-N-cyclopentyl-2-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-(N-acetyl-2,4-dimethoxyanilino)-N-cyclopentyl-2-(2-fluorophenyl)acetamide is COc1ccc(N(C(C)=O)C(C(=O)NC2CCCC2)c2ccccc2F)c(OC)c1.
What is the InChIKey of 2-(N-acetyl-2,4-dimethoxyanilino)-N-cyclopentyl-2-(2-fluorophenyl)acetamide?
The InChIKey is XYAZHOGSJDVHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O4/c1-15(27)26(20-13-12-17(29-2)14-21(20)30-3)22(18-10-6-7-11-19(18)24)23(28)25-16-8-4-5-9-16/h6-7,10-14,16,22H,4-5,8-9H2,1-3H3,(H,25,28).
What are the key properties of 2-(N-acetyl-2,4-dimethoxyanilino)-N-cyclopentyl-2-(2-fluorophenyl)acetamide?
2-(N-acetyl-2,4-dimethoxyanilino)-N-cyclopentyl-2-(2-fluorophenyl)acetamide has a molecular weight of 414.48 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-2,4-dimethoxyanilino)-N-cyclopentyl-2-(2-fluorophenyl)acetamide is sourced from PubChem (CID 44590403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).