N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-2-(oxolan-2-yl)acetamide

C16H23FN2O2 — CID 71893213

IUPACN-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-2-(oxolan-2-yl)acetamide
SMILESCC(C)N(C)c1ccc(NC(=O)CC2CCCO2)cc1F
InChIInChI=1S/C16H23FN2O2/c1-11(2)19(3)15-7-6-12(9-14(15)17)18-16(20)10-13-5-4-8-21-13/h6-7,9,11,13H,4-5,8,10H2,1-3H3,(H,18,20)
InChIKeyNSQZMQKQMXZOGH-UHFFFAOYSA-N
MW294.37 g/mol
LogP3.18
Rot. Bonds5

About N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-2-(oxolan-2-yl)acetamide

N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-2-(oxolan-2-yl)acetamide (PubChem CID 71893213) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-2-(oxolan-2-yl)acetamide.

Molecular Properties

Compound NameN-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-2-(oxolan-2-yl)acetamide
PubChem CID71893213
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC NameN-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-2-(oxolan-2-yl)acetamide
SMILESCC(C)N(C)c1ccc(NC(=O)CC2CCCO2)cc1F
InChIInChI=1S/C16H23FN2O2/c1-11(2)19(3)15-7-6-12(9-14(15)17)18-16(20)10-13-5-4-8-21-13/h6-7,9,11,13H,4-5,8,10H2,1-3H3,(H,18,20)
InChIKeyNSQZMQKQMXZOGH-UHFFFAOYSA-N
XLogP3.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-2-(oxolan-2-yl)acetamide?
The IUPAC name of N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-2-(oxolan-2-yl)acetamide (CID 71893213) is N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-2-(oxolan-2-yl)acetamide.
What is the SMILES notation for N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-2-(oxolan-2-yl)acetamide?
The canonical SMILES for N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-2-(oxolan-2-yl)acetamide is CC(C)N(C)c1ccc(NC(=O)CC2CCCO2)cc1F.
What is the InChIKey of N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-2-(oxolan-2-yl)acetamide?
The InChIKey is NSQZMQKQMXZOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-11(2)19(3)15-7-6-12(9-14(15)17)18-16(20)10-13-5-4-8-21-13/h6-7,9,11,13H,4-5,8,10H2,1-3H3,(H,18,20).
What are the key properties of N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-2-(oxolan-2-yl)acetamide?
N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-2-(oxolan-2-yl)acetamide has a molecular weight of 294.37 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-2-(oxolan-2-yl)acetamide is sourced from PubChem (CID 71893213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).