N-(5-acetamido-2-fluorophenyl)-2-(azetidin-3-yl)propanamide

C14H18FN3O2 — CID 116675124

IUPACN-(5-acetamido-2-fluorophenyl)-2-(azetidin-3-yl)propanamide
SMILESCC(=O)Nc1ccc(F)c(NC(=O)C(C)C2CNC2)c1
InChIInChI=1S/C14H18FN3O2/c1-8(10-6-16-7-10)14(20)18-13-5-11(17-9(2)19)3-4-12(13)15/h3-5,8,10,16H,6-7H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyGUUHFEYBKFQIEA-UHFFFAOYSA-N
MW279.31 g/mol
LogP1.58
Rot. Bonds4

About N-(5-acetamido-2-fluorophenyl)-2-(azetidin-3-yl)propanamide

N-(5-acetamido-2-fluorophenyl)-2-(azetidin-3-yl)propanamide (PubChem CID 116675124) has the molecular formula C14H18FN3O2 and a molecular weight of 279.31 g/mol. Its IUPAC name is N-(5-acetamido-2-fluorophenyl)-2-(azetidin-3-yl)propanamide.

Molecular Properties

Compound NameN-(5-acetamido-2-fluorophenyl)-2-(azetidin-3-yl)propanamide
PubChem CID116675124
Molecular FormulaC14H18FN3O2
Molecular Weight279.31 g/mol
Exact Mass279.14
IUPAC NameN-(5-acetamido-2-fluorophenyl)-2-(azetidin-3-yl)propanamide
SMILESCC(=O)Nc1ccc(F)c(NC(=O)C(C)C2CNC2)c1
InChIInChI=1S/C14H18FN3O2/c1-8(10-6-16-7-10)14(20)18-13-5-11(17-9(2)19)3-4-12(13)15/h3-5,8,10,16H,6-7H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyGUUHFEYBKFQIEA-UHFFFAOYSA-N
XLogP1.58
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-acetamido-2-methoxyphenyl)-2-(azetidin-3-yl)propanamide
CID 116675530
N-(4-acetamidophenyl)-2-(azetidin-3-yl)propanamide
CID 116674626
2-(azetidin-3-yl)-N-(2-fluoro-5-methoxyphenyl)propanamide
CID 116678455
2-(azetidin-3-yl)-N-(2-fluoro-5-nitrophenyl)propanamide
CID 116674855
5-[2-(azetidin-3-yl)propanoylamino]-2-fluorobenzamide
CID 116675472
(2R)-N-(5-acetamido-2-fluorophenyl)-2-aminopropanamide;hydrochloride
CID 119279500
2-(azetidin-3-yl)-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)propanamide
CID 116676043
N-(5-acetamido-2-fluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119705041
N-(5-acetamido-2-fluorophenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119705048
N-(5-acetamido-2-fluorophenyl)piperidine-4-carboxamide;hydrochloride
CID 119279496
2-cyclopropyl-N-(3,4-difluorophenyl)propanamide
CID 110428971
(2R)-N-(5-acetamido-2-fluorophenyl)-2-amino-3,3-dimethylbutanamide
CID 103928590

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-fluorophenyl)-2-(azetidin-3-yl)propanamide?
The IUPAC name of N-(5-acetamido-2-fluorophenyl)-2-(azetidin-3-yl)propanamide (CID 116675124) is N-(5-acetamido-2-fluorophenyl)-2-(azetidin-3-yl)propanamide.
What is the SMILES notation for N-(5-acetamido-2-fluorophenyl)-2-(azetidin-3-yl)propanamide?
The canonical SMILES for N-(5-acetamido-2-fluorophenyl)-2-(azetidin-3-yl)propanamide is CC(=O)Nc1ccc(F)c(NC(=O)C(C)C2CNC2)c1.
What is the InChIKey of N-(5-acetamido-2-fluorophenyl)-2-(azetidin-3-yl)propanamide?
The InChIKey is GUUHFEYBKFQIEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O2/c1-8(10-6-16-7-10)14(20)18-13-5-11(17-9(2)19)3-4-12(13)15/h3-5,8,10,16H,6-7H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of N-(5-acetamido-2-fluorophenyl)-2-(azetidin-3-yl)propanamide?
N-(5-acetamido-2-fluorophenyl)-2-(azetidin-3-yl)propanamide has a molecular weight of 279.31 g/mol, XLogP of 1.58, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-fluorophenyl)-2-(azetidin-3-yl)propanamide is sourced from PubChem (CID 116675124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).