3-[4-(difluoromethoxy)phenyl]-N-(pyridin-3-ylmethyl)propanamide

C16H16F2N2O2 — CID 35556031

IUPAC3-[4-(difluoromethoxy)phenyl]-N-(pyridin-3-ylmethyl)propanamide
SMILESO=C(CCc1ccc(OC(F)F)cc1)NCc1cccnc1
InChIInChI=1S/C16H16F2N2O2/c17-16(18)22-14-6-3-12(4-7-14)5-8-15(21)20-11-13-2-1-9-19-10-13/h1-4,6-7,9-10,16H,5,8,11H2,(H,20,21)
InChIKeyRFRXAGLEALKGQP-UHFFFAOYSA-N
MW306.31 g/mol
LogP2.93
Rot. Bonds7

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

3-[4-(difluoromethoxy)phenyl]-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 35556031) has the molecular formula C16H16F2N2O2 and a molecular weight of 306.31 g/mol. Its IUPAC name is 3-[4-(difluoromethoxy)phenyl]-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[4-(difluoromethoxy)phenyl]-N-(pyridin-3-ylmethyl)propanamide
PubChem CID35556031
Molecular FormulaC16H16F2N2O2
Molecular Weight306.31 g/mol
Exact Mass306.12
IUPAC Name3-[4-(difluoromethoxy)phenyl]-N-(pyridin-3-ylmethyl)propanamide
SMILESO=C(CCc1ccc(OC(F)F)cc1)NCc1cccnc1
InChIInChI=1S/C16H16F2N2O2/c17-16(18)22-14-6-3-12(4-7-14)5-8-15(21)20-11-13-2-1-9-19-10-13/h1-4,6-7,9-10,16H,5,8,11H2,(H,20,21)
InChIKeyRFRXAGLEALKGQP-UHFFFAOYSA-N
XLogP2.93
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.31
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[4-(difluoromethoxy)phenyl]methyl]-3-(pyridin-3-ylmethyl)urea
CID 36873297
N-benzyl-3-[4-(difluoromethoxy)phenyl]propanamide
CID 86922848
3-pyridin-3-ylpropyl 3-[4-(difluoromethoxy)phenyl]propanoate
CID 78848148
3-[4-(3,5-dinitrophenoxy)phenyl]-N-(pyridin-3-ylmethyl)propanamide
CID 3675333
N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-2-pyridin-3-ylacetamide
CID 111424709
N-(3,3-difluoro-2-hydroxypropyl)-3-pyridin-3-ylpropanamide
CID 103769874
3-[[3-chloro-4-(difluoromethoxy)phenyl]methylamino]-N-(pyridin-3-ylmethyl)propanamide
CID 119127097
(E)-3-[4-(difluoromethoxy)phenyl]-2-phenyl-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 2310363
(E)-2-cyano-3-[4-(difluoromethoxy)phenyl]-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 2314487
3-(3-bromophenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 127122248
4-[[4-(difluoromethoxy)phenyl]methylamino]-4-oxobutanoic acid
CID 54867549
3-(4-ethylphenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 108795745

Frequently Asked Questions

What is the IUPAC name of 3-[4-(difluoromethoxy)phenyl]-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of 3-[4-(difluoromethoxy)phenyl]-N-(pyridin-3-ylmethyl)propanamide (CID 35556031) is 3-[4-(difluoromethoxy)phenyl]-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for 3-[4-(difluoromethoxy)phenyl]-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for 3-[4-(difluoromethoxy)phenyl]-N-(pyridin-3-ylmethyl)propanamide is O=C(CCc1ccc(OC(F)F)cc1)NCc1cccnc1.
What is the InChIKey of 3-[4-(difluoromethoxy)phenyl]-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is RFRXAGLEALKGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O2/c17-16(18)22-14-6-3-12(4-7-14)5-8-15(21)20-11-13-2-1-9-19-10-13/h1-4,6-7,9-10,16H,5,8,11H2,(H,20,21).
What are the key properties of 3-[4-(difluoromethoxy)phenyl]-N-(pyridin-3-ylmethyl)propanamide?
3-[4-(difluoromethoxy)phenyl]-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 306.31 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(difluoromethoxy)phenyl]-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 35556031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).