3-[benzyl(propan-2-yl)amino]-1-(4-fluorophenyl)propan-1-one

C19H22FNO — CID 46232333

IUPAC3-[benzyl(propan-2-yl)amino]-1-(4-fluorophenyl)propan-1-one
SMILESCC(C)N(CCC(=O)c1ccc(F)cc1)Cc1ccccc1
InChIInChI=1S/C19H22FNO/c1-15(2)21(14-16-6-4-3-5-7-16)13-12-19(22)17-8-10-18(20)11-9-17/h3-11,15H,12-14H2,1-2H3
InChIKeyNTVDEXDKLLBUSF-UHFFFAOYSA-N
MW299.39 g/mol
LogP4.31
Rot. Bonds7

About 3-[benzyl(propan-2-yl)amino]-1-(4-fluorophenyl)propan-1-one

3-[benzyl(propan-2-yl)amino]-1-(4-fluorophenyl)propan-1-one (PubChem CID 46232333) has the molecular formula C19H22FNO and a molecular weight of 299.39 g/mol. Its IUPAC name is 3-[benzyl(propan-2-yl)amino]-1-(4-fluorophenyl)propan-1-one.

Molecular Properties

Compound Name3-[benzyl(propan-2-yl)amino]-1-(4-fluorophenyl)propan-1-one
PubChem CID46232333
Molecular FormulaC19H22FNO
Molecular Weight299.39 g/mol
Exact Mass299.17
IUPAC Name3-[benzyl(propan-2-yl)amino]-1-(4-fluorophenyl)propan-1-one
SMILESCC(C)N(CCC(=O)c1ccc(F)cc1)Cc1ccccc1
InChIInChI=1S/C19H22FNO/c1-15(2)21(14-16-6-4-3-5-7-16)13-12-19(22)17-8-10-18(20)11-9-17/h3-11,15H,12-14H2,1-2H3
InChIKeyNTVDEXDKLLBUSF-UHFFFAOYSA-N
XLogP4.31
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(propan-2-yl)amino]-1-(4-fluorophenyl)propan-1-one?
The IUPAC name of 3-[benzyl(propan-2-yl)amino]-1-(4-fluorophenyl)propan-1-one (CID 46232333) is 3-[benzyl(propan-2-yl)amino]-1-(4-fluorophenyl)propan-1-one.
What is the SMILES notation for 3-[benzyl(propan-2-yl)amino]-1-(4-fluorophenyl)propan-1-one?
The canonical SMILES for 3-[benzyl(propan-2-yl)amino]-1-(4-fluorophenyl)propan-1-one is CC(C)N(CCC(=O)c1ccc(F)cc1)Cc1ccccc1.
What is the InChIKey of 3-[benzyl(propan-2-yl)amino]-1-(4-fluorophenyl)propan-1-one?
The InChIKey is NTVDEXDKLLBUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO/c1-15(2)21(14-16-6-4-3-5-7-16)13-12-19(22)17-8-10-18(20)11-9-17/h3-11,15H,12-14H2,1-2H3.
What are the key properties of 3-[benzyl(propan-2-yl)amino]-1-(4-fluorophenyl)propan-1-one?
3-[benzyl(propan-2-yl)amino]-1-(4-fluorophenyl)propan-1-one has a molecular weight of 299.39 g/mol, XLogP of 4.31, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(propan-2-yl)amino]-1-(4-fluorophenyl)propan-1-one is sourced from PubChem (CID 46232333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).