2-amino-N-[3-(1,3-dioxolan-2-yl)phenyl]-3,3,3-trifluoro-2-methylpropanamide

C13H15F3N2O3 — CID 106911974

IUPAC2-amino-N-[3-(1,3-dioxolan-2-yl)phenyl]-3,3,3-trifluoro-2-methylpropanamide
SMILESCC(N)(C(=O)Nc1cccc(C2OCCO2)c1)C(F)(F)F
InChIInChI=1S/C13H15F3N2O3/c1-12(17,13(14,15)16)11(19)18-9-4-2-3-8(7-9)10-20-5-6-21-10/h2-4,7,10H,5-6,17H2,1H3,(H,18,19)
InChIKeyPWGHKWIEFVIPFU-UHFFFAOYSA-N
MW304.27 g/mol
LogP1.95
Rot. Bonds3

About 2-amino-N-[3-(1,3-dioxolan-2-yl)phenyl]-3,3,3-trifluoro-2-methylpropanamide

2-amino-N-[3-(1,3-dioxolan-2-yl)phenyl]-3,3,3-trifluoro-2-methylpropanamide (PubChem CID 106911974) has the molecular formula C13H15F3N2O3 and a molecular weight of 304.27 g/mol. Its IUPAC name is 2-amino-N-[3-(1,3-dioxolan-2-yl)phenyl]-3,3,3-trifluoro-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-[3-(1,3-dioxolan-2-yl)phenyl]-3,3,3-trifluoro-2-methylpropanamide
PubChem CID106911974
Molecular FormulaC13H15F3N2O3
Molecular Weight304.27 g/mol
Exact Mass304.10
IUPAC Name2-amino-N-[3-(1,3-dioxolan-2-yl)phenyl]-3,3,3-trifluoro-2-methylpropanamide
SMILESCC(N)(C(=O)Nc1cccc(C2OCCO2)c1)C(F)(F)F
InChIInChI=1S/C13H15F3N2O3/c1-12(17,13(14,15)16)11(19)18-9-4-2-3-8(7-9)10-20-5-6-21-10/h2-4,7,10H,5-6,17H2,1H3,(H,18,19)
InChIKeyPWGHKWIEFVIPFU-UHFFFAOYSA-N
XLogP1.95
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(1,3-dioxolan-2-yl)phenyl]-3,3,3-trifluoro-2-methylpropanamide?
The IUPAC name of 2-amino-N-[3-(1,3-dioxolan-2-yl)phenyl]-3,3,3-trifluoro-2-methylpropanamide (CID 106911974) is 2-amino-N-[3-(1,3-dioxolan-2-yl)phenyl]-3,3,3-trifluoro-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-[3-(1,3-dioxolan-2-yl)phenyl]-3,3,3-trifluoro-2-methylpropanamide?
The canonical SMILES for 2-amino-N-[3-(1,3-dioxolan-2-yl)phenyl]-3,3,3-trifluoro-2-methylpropanamide is CC(N)(C(=O)Nc1cccc(C2OCCO2)c1)C(F)(F)F.
What is the InChIKey of 2-amino-N-[3-(1,3-dioxolan-2-yl)phenyl]-3,3,3-trifluoro-2-methylpropanamide?
The InChIKey is PWGHKWIEFVIPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O3/c1-12(17,13(14,15)16)11(19)18-9-4-2-3-8(7-9)10-20-5-6-21-10/h2-4,7,10H,5-6,17H2,1H3,(H,18,19).
What are the key properties of 2-amino-N-[3-(1,3-dioxolan-2-yl)phenyl]-3,3,3-trifluoro-2-methylpropanamide?
2-amino-N-[3-(1,3-dioxolan-2-yl)phenyl]-3,3,3-trifluoro-2-methylpropanamide has a molecular weight of 304.27 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(1,3-dioxolan-2-yl)phenyl]-3,3,3-trifluoro-2-methylpropanamide is sourced from PubChem (CID 106911974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).