3-amino-N-[2-(3,4-difluorophenyl)oxolan-3-yl]butanamide

C14H18F2N2O2 — CID 120874088

IUPAC3-amino-N-[2-(3,4-difluorophenyl)oxolan-3-yl]butanamide
SMILESCC(N)CC(=O)NC1CCOC1c1ccc(F)c(F)c1
InChIInChI=1S/C14H18F2N2O2/c1-8(17)6-13(19)18-12-4-5-20-14(12)9-2-3-10(15)11(16)7-9/h2-3,7-8,12,14H,4-6,17H2,1H3,(H,18,19)
InChIKeyHHVNAHKLNONIBQ-UHFFFAOYSA-N
MW284.31 g/mol
LogP1.65
Rot. Bonds4

About 3-amino-N-[2-(3,4-difluorophenyl)oxolan-3-yl]butanamide

3-amino-N-[2-(3,4-difluorophenyl)oxolan-3-yl]butanamide (PubChem CID 120874088) has the molecular formula C14H18F2N2O2 and a molecular weight of 284.31 g/mol. Its IUPAC name is 3-amino-N-[2-(3,4-difluorophenyl)oxolan-3-yl]butanamide.

Molecular Properties

Compound Name3-amino-N-[2-(3,4-difluorophenyl)oxolan-3-yl]butanamide
PubChem CID120874088
Molecular FormulaC14H18F2N2O2
Molecular Weight284.31 g/mol
Exact Mass284.13
IUPAC Name3-amino-N-[2-(3,4-difluorophenyl)oxolan-3-yl]butanamide
SMILESCC(N)CC(=O)NC1CCOC1c1ccc(F)c(F)c1
InChIInChI=1S/C14H18F2N2O2/c1-8(17)6-13(19)18-12-4-5-20-14(12)9-2-3-10(15)11(16)7-9/h2-3,7-8,12,14H,4-6,17H2,1H3,(H,18,19)
InChIKeyHHVNAHKLNONIBQ-UHFFFAOYSA-N
XLogP1.65
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(3,4-difluorophenyl)oxolan-3-yl]butanamide?
The IUPAC name of 3-amino-N-[2-(3,4-difluorophenyl)oxolan-3-yl]butanamide (CID 120874088) is 3-amino-N-[2-(3,4-difluorophenyl)oxolan-3-yl]butanamide.
What is the SMILES notation for 3-amino-N-[2-(3,4-difluorophenyl)oxolan-3-yl]butanamide?
The canonical SMILES for 3-amino-N-[2-(3,4-difluorophenyl)oxolan-3-yl]butanamide is CC(N)CC(=O)NC1CCOC1c1ccc(F)c(F)c1.
What is the InChIKey of 3-amino-N-[2-(3,4-difluorophenyl)oxolan-3-yl]butanamide?
The InChIKey is HHVNAHKLNONIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O2/c1-8(17)6-13(19)18-12-4-5-20-14(12)9-2-3-10(15)11(16)7-9/h2-3,7-8,12,14H,4-6,17H2,1H3,(H,18,19).
What are the key properties of 3-amino-N-[2-(3,4-difluorophenyl)oxolan-3-yl]butanamide?
3-amino-N-[2-(3,4-difluorophenyl)oxolan-3-yl]butanamide has a molecular weight of 284.31 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(3,4-difluorophenyl)oxolan-3-yl]butanamide is sourced from PubChem (CID 120874088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).