N-benzyl-3-[4-(difluoromethoxy)phenyl]propanamide

C17H17F2NO2 — CID 86922848

IUPACN-benzyl-3-[4-(difluoromethoxy)phenyl]propanamide
SMILESO=C(CCc1ccc(OC(F)F)cc1)NCc1ccccc1
InChIInChI=1S/C17H17F2NO2/c18-17(19)22-15-9-6-13(7-10-15)8-11-16(21)20-12-14-4-2-1-3-5-14/h1-7,9-10,17H,8,11-12H2,(H,20,21)
InChIKeyKCNCAZSIBDXIID-UHFFFAOYSA-N
MW305.32 g/mol
LogP3.54
Rot. Bonds7

About N-benzyl-3-[4-(difluoromethoxy)phenyl]propanamide

N-benzyl-3-[4-(difluoromethoxy)phenyl]propanamide (PubChem CID 86922848) has the molecular formula C17H17F2NO2 and a molecular weight of 305.32 g/mol. Its IUPAC name is N-benzyl-3-[4-(difluoromethoxy)phenyl]propanamide.

Molecular Properties

Compound NameN-benzyl-3-[4-(difluoromethoxy)phenyl]propanamide
PubChem CID86922848
Molecular FormulaC17H17F2NO2
Molecular Weight305.32 g/mol
Exact Mass305.12
IUPAC NameN-benzyl-3-[4-(difluoromethoxy)phenyl]propanamide
SMILESO=C(CCc1ccc(OC(F)F)cc1)NCc1ccccc1
InChIInChI=1S/C17H17F2NO2/c18-17(19)22-15-9-6-13(7-10-15)8-11-16(21)20-12-14-4-2-1-3-5-14/h1-7,9-10,17H,8,11-12H2,(H,20,21)
InChIKeyKCNCAZSIBDXIID-UHFFFAOYSA-N
XLogP3.54
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.32
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-(difluoromethoxy)phenyl]-N-(pyridin-3-ylmethyl)propanamide
CID 35556031
4-[[4-(difluoromethoxy)phenyl]methylamino]-4-oxobutanoic acid
CID 54867549
N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-3-phenylpropanamide
CID 111424772
5-[[4-(difluoromethoxy)phenyl]methylamino]-5-oxopentanoic acid
CID 60941319
N-[4-(difluoromethoxy)phenyl]-3-phenylpropanamide
CID 8502657
N-[3-[[4-(difluoromethoxy)phenyl]methylamino]-3-oxopropyl]benzamide
CID 24644344
N-[[4-(difluoromethoxy)phenyl]methyl]-4-hydroxypentanamide
CID 79200943
N-[[4-(difluoromethoxy)phenyl]methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 51314587
N-[[4-(difluoromethoxy)phenyl]methyl]-2-(2-fluorophenyl)acetamide
CID 51181469
3-[4-(difluoromethoxy)phenyl]-N-(2-hydroxypropyl)propanamide
CID 110886635
2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide;hydrochloride
CID 119271340
N-[[4-(bromomethyl)phenyl]methyl]-3-phenylpropanamide
CID 107233854

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[4-(difluoromethoxy)phenyl]propanamide?
The IUPAC name of N-benzyl-3-[4-(difluoromethoxy)phenyl]propanamide (CID 86922848) is N-benzyl-3-[4-(difluoromethoxy)phenyl]propanamide.
What is the SMILES notation for N-benzyl-3-[4-(difluoromethoxy)phenyl]propanamide?
The canonical SMILES for N-benzyl-3-[4-(difluoromethoxy)phenyl]propanamide is O=C(CCc1ccc(OC(F)F)cc1)NCc1ccccc1.
What is the InChIKey of N-benzyl-3-[4-(difluoromethoxy)phenyl]propanamide?
The InChIKey is KCNCAZSIBDXIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO2/c18-17(19)22-15-9-6-13(7-10-15)8-11-16(21)20-12-14-4-2-1-3-5-14/h1-7,9-10,17H,8,11-12H2,(H,20,21).
What are the key properties of N-benzyl-3-[4-(difluoromethoxy)phenyl]propanamide?
N-benzyl-3-[4-(difluoromethoxy)phenyl]propanamide has a molecular weight of 305.32 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[4-(difluoromethoxy)phenyl]propanamide is sourced from PubChem (CID 86922848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).