3-(azetidin-1-yl)-N-benzylpropanamide;difluoromethane;propane

C17H28F2N2O — CID 156875577

IUPAC3-(azetidin-1-yl)-N-benzylpropanamide;difluoromethane;propane
SMILESCCC.FCF.O=C(CCN1CCC1)NCc1ccccc1
InChIInChI=1S/C13H18N2O.C3H8.CH2F2/c16-13(7-10-15-8-4-9-15)14-11-12-5-2-1-3-6-12;1-3-2;2-1-3/h1-3,5-6H,4,7-11H2,(H,14,16);3H2,1-2H3;1H2
InChIKeyZCJYHUZQYQONQY-UHFFFAOYSA-N
MW314.42 g/mol
LogP3.70
Rot. Bonds5

About 3-(azetidin-1-yl)-N-benzylpropanamide;difluoromethane;propane

3-(azetidin-1-yl)-N-benzylpropanamide;difluoromethane;propane (PubChem CID 156875577) has the molecular formula C17H28F2N2O and a molecular weight of 314.42 g/mol. Its IUPAC name is 3-(azetidin-1-yl)-N-benzylpropanamide;difluoromethane;propane.

Molecular Properties

Compound Name3-(azetidin-1-yl)-N-benzylpropanamide;difluoromethane;propane
PubChem CID156875577
Molecular FormulaC17H28F2N2O
Molecular Weight314.42 g/mol
Exact Mass314.22
IUPAC Name3-(azetidin-1-yl)-N-benzylpropanamide;difluoromethane;propane
SMILESCCC.FCF.O=C(CCN1CCC1)NCc1ccccc1
InChIInChI=1S/C13H18N2O.C3H8.CH2F2/c16-13(7-10-15-8-4-9-15)14-11-12-5-2-1-3-6-12;1-3-2;2-1-3/h1-3,5-6H,4,7-11H2,(H,14,16);3H2,1-2H3;1H2
InChIKeyZCJYHUZQYQONQY-UHFFFAOYSA-N
XLogP3.70
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.42
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-chlorophenyl)methyl]-3-piperidin-1-ylpropanamide
CID 110688285
N-[(4-methylphenyl)methyl]-3-(4-phenylpiperazin-1-yl)propanamide
CID 109019767
N-benzyl-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 109018803
N-benzyl-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 109018781
N-[(2-chlorophenyl)methyl]-3-pyrrolidin-1-ylpropanamide
CID 110688132
N-benzyl-4-butanoyl-1,4-diazepane-1-carboxamide
CID 110811324
N-(benzylcarbamoyl)-3-(4-benzylpiperazin-1-yl)propanamide
CID 46551381
3-[4-(2-fluorophenyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]propanamide
CID 109019783
3-(azocan-1-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide
CID 91797431
3-(4-acetylpiperazin-1-yl)-N-[(4-chlorophenyl)methyl]propanamide
CID 109018277
3-(4-benzyl-1,4-diazepan-1-yl)-N-carbamoylpropanamide
CID 134033685
N-benzyl-4,4-dimethylpentanamide
CID 59836653

Frequently Asked Questions

What is the IUPAC name of 3-(azetidin-1-yl)-N-benzylpropanamide;difluoromethane;propane?
The IUPAC name of 3-(azetidin-1-yl)-N-benzylpropanamide;difluoromethane;propane (CID 156875577) is 3-(azetidin-1-yl)-N-benzylpropanamide;difluoromethane;propane.
What is the SMILES notation for 3-(azetidin-1-yl)-N-benzylpropanamide;difluoromethane;propane?
The canonical SMILES for 3-(azetidin-1-yl)-N-benzylpropanamide;difluoromethane;propane is CCC.FCF.O=C(CCN1CCC1)NCc1ccccc1.
What is the InChIKey of 3-(azetidin-1-yl)-N-benzylpropanamide;difluoromethane;propane?
The InChIKey is ZCJYHUZQYQONQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O.C3H8.CH2F2/c16-13(7-10-15-8-4-9-15)14-11-12-5-2-1-3-6-12;1-3-2;2-1-3/h1-3,5-6H,4,7-11H2,(H,14,16);3H2,1-2H3;1H2.
What are the key properties of 3-(azetidin-1-yl)-N-benzylpropanamide;difluoromethane;propane?
3-(azetidin-1-yl)-N-benzylpropanamide;difluoromethane;propane has a molecular weight of 314.42 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidin-1-yl)-N-benzylpropanamide;difluoromethane;propane is sourced from PubChem (CID 156875577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).