2-(azetidin-3-yl)-N-(2-fluoro-5-methoxyphenyl)propanamide

C13H17FN2O2 — CID 116678455

IUPAC2-(azetidin-3-yl)-N-(2-fluoro-5-methoxyphenyl)propanamide
SMILESCOc1ccc(F)c(NC(=O)C(C)C2CNC2)c1
InChIInChI=1S/C13H17FN2O2/c1-8(9-6-15-7-9)13(17)16-12-5-10(18-2)3-4-11(12)14/h3-5,8-9,15H,6-7H2,1-2H3,(H,16,17)
InChIKeyMQALRFNVXHODGE-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.63
Rot. Bonds4

About 2-(azetidin-3-yl)-N-(2-fluoro-5-methoxyphenyl)propanamide

2-(azetidin-3-yl)-N-(2-fluoro-5-methoxyphenyl)propanamide (PubChem CID 116678455) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-(2-fluoro-5-methoxyphenyl)propanamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-(2-fluoro-5-methoxyphenyl)propanamide
PubChem CID116678455
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Name2-(azetidin-3-yl)-N-(2-fluoro-5-methoxyphenyl)propanamide
SMILESCOc1ccc(F)c(NC(=O)C(C)C2CNC2)c1
InChIInChI=1S/C13H17FN2O2/c1-8(9-6-15-7-9)13(17)16-12-5-10(18-2)3-4-11(12)14/h3-5,8-9,15H,6-7H2,1-2H3,(H,16,17)
InChIKeyMQALRFNVXHODGE-UHFFFAOYSA-N
XLogP1.63
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-acetamido-2-fluorophenyl)-2-(azetidin-3-yl)propanamide
CID 116675124
2-(azetidin-3-yl)-N-(2-fluoro-5-nitrophenyl)propanamide
CID 116674855
3-amino-N-(2-fluoro-5-methoxyphenyl)-2-methylbutanamide
CID 113416369
4-(2-fluoro-5-methoxyanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103498802
methyl 2-[2-(azetidin-3-yl)propanoylamino]-4-fluorobenzoate
CID 116675861
N-(5-acetamido-2-methoxyphenyl)-2-(azetidin-3-yl)propanamide
CID 116675530
5-[2-(azetidin-3-yl)propanoylamino]-2-fluorobenzamide
CID 116675472
(2R)-N-(2-fluoro-5-methoxyphenyl)pyrrolidine-2-carboxamide
CID 113264214
2-(azetidin-3-yl)-N-(2,4-dibromophenyl)propanamide
CID 116675274
2-(azetidin-3-yl)-N-[2-(difluoromethoxy)phenyl]propanamide
CID 116674736
N-(2-fluoro-5-methoxyphenyl)-N'-methyl-N'-[(1S)-1-(1-methylcyclopropyl)ethyl]oxamide
CID 99635405
2-(azetidin-3-yl)-N-(2-iodophenyl)propanamide
CID 116674715

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-(2-fluoro-5-methoxyphenyl)propanamide?
The IUPAC name of 2-(azetidin-3-yl)-N-(2-fluoro-5-methoxyphenyl)propanamide (CID 116678455) is 2-(azetidin-3-yl)-N-(2-fluoro-5-methoxyphenyl)propanamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-(2-fluoro-5-methoxyphenyl)propanamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-(2-fluoro-5-methoxyphenyl)propanamide is COc1ccc(F)c(NC(=O)C(C)C2CNC2)c1.
What is the InChIKey of 2-(azetidin-3-yl)-N-(2-fluoro-5-methoxyphenyl)propanamide?
The InChIKey is MQALRFNVXHODGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c1-8(9-6-15-7-9)13(17)16-12-5-10(18-2)3-4-11(12)14/h3-5,8-9,15H,6-7H2,1-2H3,(H,16,17).
What are the key properties of 2-(azetidin-3-yl)-N-(2-fluoro-5-methoxyphenyl)propanamide?
2-(azetidin-3-yl)-N-(2-fluoro-5-methoxyphenyl)propanamide has a molecular weight of 252.29 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N-(2-fluoro-5-methoxyphenyl)propanamide is sourced from PubChem (CID 116678455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).