3-(2-fluorophenyl)-N-[3-(6-oxo-1H-pyrimidin-4-yl)cyclobutyl]propanamide

C17H18FN3O2 — CID 136662321

IUPAC3-(2-fluorophenyl)-N-[3-(6-oxo-1H-pyrimidin-4-yl)cyclobutyl]propanamide
SMILESO=C(CCc1ccccc1F)NC1CC(c2cc(=O)[nH]cn2)C1
InChIInChI=1S/C17H18FN3O2/c18-14-4-2-1-3-11(14)5-6-16(22)21-13-7-12(8-13)15-9-17(23)20-10-19-15/h1-4,9-10,12-13H,5-8H2,(H,21,22)(H,19,20,23)
InChIKeySSXXJXZJDZBOOY-UHFFFAOYSA-N
MW315.35 g/mol
LogP1.90
Rot. Bonds5

About 3-(2-fluorophenyl)-N-[3-(6-oxo-1H-pyrimidin-4-yl)cyclobutyl]propanamide

3-(2-fluorophenyl)-N-[3-(6-oxo-1H-pyrimidin-4-yl)cyclobutyl]propanamide (PubChem CID 136662321) has the molecular formula C17H18FN3O2 and a molecular weight of 315.35 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-[3-(6-oxo-1H-pyrimidin-4-yl)cyclobutyl]propanamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-[3-(6-oxo-1H-pyrimidin-4-yl)cyclobutyl]propanamide
PubChem CID136662321
Molecular FormulaC17H18FN3O2
Molecular Weight315.35 g/mol
Exact Mass315.14
IUPAC Name3-(2-fluorophenyl)-N-[3-(6-oxo-1H-pyrimidin-4-yl)cyclobutyl]propanamide
SMILESO=C(CCc1ccccc1F)NC1CC(c2cc(=O)[nH]cn2)C1
InChIInChI=1S/C17H18FN3O2/c18-14-4-2-1-3-11(14)5-6-16(22)21-13-7-12(8-13)15-9-17(23)20-10-19-15/h1-4,9-10,12-13H,5-8H2,(H,21,22)(H,19,20,23)
InChIKeySSXXJXZJDZBOOY-UHFFFAOYSA-N
XLogP1.90
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-oxo-N-[3-(6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-5-phenylpentanamide
CID 136664872
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-(2-fluorophenyl)propanamide
CID 110819444
N-cyclopropyl-2-[3-(2-fluorophenyl)propanoylamino]benzamide
CID 29353155
3-[3-amino-4-[(2-fluorophenyl)methoxy]phenyl]-N-cyclopropylpropanamide
CID 82152825
3-(2-fluorophenyl)-N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]propanamide
CID 25377297
3-(2,3-difluorophenyl)-N-piperidin-4-ylpropanamide;hydrochloride
CID 119386108
3-(2-fluorophenyl)-N-[1-(3-methylbutanoyl)piperidin-4-yl]propanamide
CID 110819642
N-cyclopentyl-3-[(2-fluorophenyl)methylamino]propanamide
CID 109013439
4-[3-(2-fluorophenyl)propanoylamino]-N-propylpiperidine-1-carboxamide
CID 110822027
cis-(1R,3S)-3-[3-(2,3-difluorophenyl)propanoylamino]cyclopentane-1-carboxylic acid
CID 120678802
4-[2-[(2R)-4-[3-(2-fluorophenyl)propanoyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
CID 137030447
N-cycloheptyl-3-[(2-fluorophenyl)methylamino]propanamide
CID 109020883

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-[3-(6-oxo-1H-pyrimidin-4-yl)cyclobutyl]propanamide?
The IUPAC name of 3-(2-fluorophenyl)-N-[3-(6-oxo-1H-pyrimidin-4-yl)cyclobutyl]propanamide (CID 136662321) is 3-(2-fluorophenyl)-N-[3-(6-oxo-1H-pyrimidin-4-yl)cyclobutyl]propanamide.
What is the SMILES notation for 3-(2-fluorophenyl)-N-[3-(6-oxo-1H-pyrimidin-4-yl)cyclobutyl]propanamide?
The canonical SMILES for 3-(2-fluorophenyl)-N-[3-(6-oxo-1H-pyrimidin-4-yl)cyclobutyl]propanamide is O=C(CCc1ccccc1F)NC1CC(c2cc(=O)[nH]cn2)C1.
What is the InChIKey of 3-(2-fluorophenyl)-N-[3-(6-oxo-1H-pyrimidin-4-yl)cyclobutyl]propanamide?
The InChIKey is SSXXJXZJDZBOOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2/c18-14-4-2-1-3-11(14)5-6-16(22)21-13-7-12(8-13)15-9-17(23)20-10-19-15/h1-4,9-10,12-13H,5-8H2,(H,21,22)(H,19,20,23).
What are the key properties of 3-(2-fluorophenyl)-N-[3-(6-oxo-1H-pyrimidin-4-yl)cyclobutyl]propanamide?
3-(2-fluorophenyl)-N-[3-(6-oxo-1H-pyrimidin-4-yl)cyclobutyl]propanamide has a molecular weight of 315.35 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N-[3-(6-oxo-1H-pyrimidin-4-yl)cyclobutyl]propanamide is sourced from PubChem (CID 136662321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).