2-amino-N-cyclopropyl-N-[1-(4-fluorophenyl)ethyl]acetamide

C13H17FN2O — CID 66568506

IUPAC2-amino-N-cyclopropyl-N-[1-(4-fluorophenyl)ethyl]acetamide
SMILESCC(c1ccc(F)cc1)N(C(=O)CN)C1CC1
InChIInChI=1S/C13H17FN2O/c1-9(10-2-4-11(14)5-3-10)16(12-6-7-12)13(17)8-15/h2-5,9,12H,6-8,15H2,1H3
InChIKeyXYGUUUJMNWHOHC-UHFFFAOYSA-N
MW236.29 g/mol
LogP1.84
Rot. Bonds4

About 2-amino-N-cyclopropyl-N-[1-(4-fluorophenyl)ethyl]acetamide

2-amino-N-cyclopropyl-N-[1-(4-fluorophenyl)ethyl]acetamide (PubChem CID 66568506) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is 2-amino-N-cyclopropyl-N-[1-(4-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-amino-N-cyclopropyl-N-[1-(4-fluorophenyl)ethyl]acetamide
PubChem CID66568506
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name2-amino-N-cyclopropyl-N-[1-(4-fluorophenyl)ethyl]acetamide
SMILESCC(c1ccc(F)cc1)N(C(=O)CN)C1CC1
InChIInChI=1S/C13H17FN2O/c1-9(10-2-4-11(14)5-3-10)16(12-6-7-12)13(17)8-15/h2-5,9,12H,6-8,15H2,1H3
InChIKeyXYGUUUJMNWHOHC-UHFFFAOYSA-N
XLogP1.84
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-cyclopropyl-N-[1-(4-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-amino-N-cyclopropyl-N-[1-(4-fluorophenyl)ethyl]acetamide (CID 66568506) is 2-amino-N-cyclopropyl-N-[1-(4-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-amino-N-cyclopropyl-N-[1-(4-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-amino-N-cyclopropyl-N-[1-(4-fluorophenyl)ethyl]acetamide is CC(c1ccc(F)cc1)N(C(=O)CN)C1CC1.
What is the InChIKey of 2-amino-N-cyclopropyl-N-[1-(4-fluorophenyl)ethyl]acetamide?
The InChIKey is XYGUUUJMNWHOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c1-9(10-2-4-11(14)5-3-10)16(12-6-7-12)13(17)8-15/h2-5,9,12H,6-8,15H2,1H3.
What are the key properties of 2-amino-N-cyclopropyl-N-[1-(4-fluorophenyl)ethyl]acetamide?
2-amino-N-cyclopropyl-N-[1-(4-fluorophenyl)ethyl]acetamide has a molecular weight of 236.29 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-cyclopropyl-N-[1-(4-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 66568506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).