3-(azetidin-1-yl)-N-[(1R)-1-(2,5-difluorophenyl)-2,2-difluoroethyl]propanamide

C14H16F4N2O — CID 166072180

IUPAC3-(azetidin-1-yl)-N-[(1R)-1-(2,5-difluorophenyl)-2,2-difluoroethyl]propanamide
SMILESO=C(CCN1CCC1)N[C@H](c1cc(F)ccc1F)C(F)F
InChIInChI=1S/C14H16F4N2O/c15-9-2-3-11(16)10(8-9)13(14(17)18)19-12(21)4-7-20-5-1-6-20/h2-3,8,13-14H,1,4-7H2,(H,19,21)/t13-/m1/s1
InChIKeyRASRHGISYREGPY-CYBMUJFWSA-N
MW304.29 g/mol
LogP2.48
Rot. Bonds6

About 3-(azetidin-1-yl)-N-[(1R)-1-(2,5-difluorophenyl)-2,2-difluoroethyl]propanamide

3-(azetidin-1-yl)-N-[(1R)-1-(2,5-difluorophenyl)-2,2-difluoroethyl]propanamide (PubChem CID 166072180) has the molecular formula C14H16F4N2O and a molecular weight of 304.29 g/mol. Its IUPAC name is 3-(azetidin-1-yl)-N-[(1R)-1-(2,5-difluorophenyl)-2,2-difluoroethyl]propanamide.

Molecular Properties

Compound Name3-(azetidin-1-yl)-N-[(1R)-1-(2,5-difluorophenyl)-2,2-difluoroethyl]propanamide
PubChem CID166072180
Molecular FormulaC14H16F4N2O
Molecular Weight304.29 g/mol
Exact Mass304.12
IUPAC Name3-(azetidin-1-yl)-N-[(1R)-1-(2,5-difluorophenyl)-2,2-difluoroethyl]propanamide
SMILESO=C(CCN1CCC1)N[C@H](c1cc(F)ccc1F)C(F)F
InChIInChI=1S/C14H16F4N2O/c15-9-2-3-11(16)10(8-9)13(14(17)18)19-12(21)4-7-20-5-1-6-20/h2-3,8,13-14H,1,4-7H2,(H,19,21)/t13-/m1/s1
InChIKeyRASRHGISYREGPY-CYBMUJFWSA-N
XLogP2.48
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.29
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(azetidin-1-yl)-N-[(1S)-1-(2,5-difluorophenyl)-2,2-difluoroethyl]propanamide
CID 156875475
3-(azetidin-1-yl)-N-[(1R)-2,2,2-trifluoro-1-(3-fluorophenyl)ethyl]propanamide
CID 166072219
1-[1-(1-benzylpyrrolidin-3-yl)ethyl]-3-[1-(2,5-difluorophenyl)-2,2-difluoroethyl]urea
CID 167769083
(2R)-2-(2,5-difluorophenyl)-2-(4-propyl-1,4-diazepan-1-yl)acetic acid
CID 99973199
1-(2,5-difluorophenyl)-N-(2-pyrrolidin-1-ylethyl)ethanamine
CID 43203398
3-(azepan-1-yl)-N-(3,4-difluorophenyl)propanamide;hydrochloride
CID 90483211
N-cyclopropyl-3-[4-(2,5-difluorobenzoyl)piperidin-1-yl]propanamide
CID 51087123
N-[1-(2,5-difluorophenyl)ethyl]-4-hydroxypentanamide
CID 79201225
N-[1-(2,5-difluorophenyl)ethyl]-3-piperidin-1-ylpropan-1-amine
CID 43203819
3-(3-acetamidopiperidin-1-yl)-N-(2,5-difluorophenyl)propanamide
CID 91841794
3-amino-N-[1-(2,5-difluorophenyl)propyl]propanamide
CID 119333169
3-(2,5-difluorophenyl)-3-piperidin-1-ylpropanoic acid
CID 64527801

Frequently Asked Questions

What is the IUPAC name of 3-(azetidin-1-yl)-N-[(1R)-1-(2,5-difluorophenyl)-2,2-difluoroethyl]propanamide?
The IUPAC name of 3-(azetidin-1-yl)-N-[(1R)-1-(2,5-difluorophenyl)-2,2-difluoroethyl]propanamide (CID 166072180) is 3-(azetidin-1-yl)-N-[(1R)-1-(2,5-difluorophenyl)-2,2-difluoroethyl]propanamide.
What is the SMILES notation for 3-(azetidin-1-yl)-N-[(1R)-1-(2,5-difluorophenyl)-2,2-difluoroethyl]propanamide?
The canonical SMILES for 3-(azetidin-1-yl)-N-[(1R)-1-(2,5-difluorophenyl)-2,2-difluoroethyl]propanamide is O=C(CCN1CCC1)N[C@H](c1cc(F)ccc1F)C(F)F.
What is the InChIKey of 3-(azetidin-1-yl)-N-[(1R)-1-(2,5-difluorophenyl)-2,2-difluoroethyl]propanamide?
The InChIKey is RASRHGISYREGPY-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H16F4N2O/c15-9-2-3-11(16)10(8-9)13(14(17)18)19-12(21)4-7-20-5-1-6-20/h2-3,8,13-14H,1,4-7H2,(H,19,21)/t13-/m1/s1.
What are the key properties of 3-(azetidin-1-yl)-N-[(1R)-1-(2,5-difluorophenyl)-2,2-difluoroethyl]propanamide?
3-(azetidin-1-yl)-N-[(1R)-1-(2,5-difluorophenyl)-2,2-difluoroethyl]propanamide has a molecular weight of 304.29 g/mol, XLogP of 2.48, 6 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-[(1R)-1-(2,5-difluorophenyl)-2,2-difluoroethyl]propanamide is sourced from PubChem (CID 166072180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).