2-[(2-cyclopentyloxyphenyl)methylcarbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide

C17H22F3N3O3 — CID 55929599

IUPAC2-[(2-cyclopentyloxyphenyl)methylcarbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CNC(=O)NCc1ccccc1OC1CCCC1)NCC(F)(F)F
InChIInChI=1S/C17H22F3N3O3/c18-17(19,20)11-23-15(24)10-22-16(25)21-9-12-5-1-4-8-14(12)26-13-6-2-3-7-13/h1,4-5,8,13H,2-3,6-7,9-11H2,(H,23,24)(H2,21,22,25)
InChIKeyAEZHFTQEHGWUAE-UHFFFAOYSA-N
MW373.38 g/mol
LogP2.49
Rot. Bonds7

About 2-[(2-cyclopentyloxyphenyl)methylcarbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide

2-[(2-cyclopentyloxyphenyl)methylcarbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 55929599) has the molecular formula C17H22F3N3O3 and a molecular weight of 373.38 g/mol. Its IUPAC name is 2-[(2-cyclopentyloxyphenyl)methylcarbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[(2-cyclopentyloxyphenyl)methylcarbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID55929599
Molecular FormulaC17H22F3N3O3
Molecular Weight373.38 g/mol
Exact Mass373.16
IUPAC Name2-[(2-cyclopentyloxyphenyl)methylcarbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CNC(=O)NCc1ccccc1OC1CCCC1)NCC(F)(F)F
InChIInChI=1S/C17H22F3N3O3/c18-17(19,20)11-23-15(24)10-22-16(25)21-9-12-5-1-4-8-14(12)26-13-6-2-3-7-13/h1,4-5,8,13H,2-3,6-7,9-11H2,(H,23,24)(H2,21,22,25)
InChIKeyAEZHFTQEHGWUAE-UHFFFAOYSA-N
XLogP2.49
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclopentyloxyphenyl)methylcarbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[(2-cyclopentyloxyphenyl)methylcarbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide (CID 55929599) is 2-[(2-cyclopentyloxyphenyl)methylcarbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[(2-cyclopentyloxyphenyl)methylcarbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[(2-cyclopentyloxyphenyl)methylcarbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide is O=C(CNC(=O)NCc1ccccc1OC1CCCC1)NCC(F)(F)F.
What is the InChIKey of 2-[(2-cyclopentyloxyphenyl)methylcarbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is AEZHFTQEHGWUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3N3O3/c18-17(19,20)11-23-15(24)10-22-16(25)21-9-12-5-1-4-8-14(12)26-13-6-2-3-7-13/h1,4-5,8,13H,2-3,6-7,9-11H2,(H,23,24)(H2,21,22,25).
What are the key properties of 2-[(2-cyclopentyloxyphenyl)methylcarbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[(2-cyclopentyloxyphenyl)methylcarbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 373.38 g/mol, XLogP of 2.49, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclopentyloxyphenyl)methylcarbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 55929599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).