N-(1-(18F)fluoropropan-2-yl)(18F)benzamide

C10H12FNO — CID 177440113

IUPACN-(1-(18F)fluoropropan-2-yl)(18F)benzamide
SMILESCC(C[18F])NC(=O)c1ccccc1
InChIInChI=1S/C10H12FNO/c1-8(7-11)12-10(13)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,12,13)/i11-1
InChIKeyRQKUGUIJYIKQJY-KXMUYVCJSA-N
MW180.21 g/mol
LogP1.77
Rot. Bonds3

About N-(1-(18F)fluoropropan-2-yl)(18F)benzamide

N-(1-(18F)fluoropropan-2-yl)(18F)benzamide (PubChem CID 177440113) has the molecular formula C10H12FNO and a molecular weight of 180.21 g/mol. Its IUPAC name is N-(1-(18F)fluoropropan-2-yl)(18F)benzamide.

Molecular Properties

Compound NameN-(1-(18F)fluoropropan-2-yl)(18F)benzamide
PubChem CID177440113
Molecular FormulaC10H12FNO
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC NameN-(1-(18F)fluoropropan-2-yl)(18F)benzamide
SMILESCC(C[18F])NC(=O)c1ccccc1
InChIInChI=1S/C10H12FNO/c1-8(7-11)12-10(13)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,12,13)/i11-1
InChIKeyRQKUGUIJYIKQJY-KXMUYVCJSA-N
XLogP1.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 3683093
N-(4-aminobutan-2-yl)benzamide
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(E)-2,3-bis[(2R)-2-benzamidopropyl]but-2-enedioic acid
CID 126483406
N-(4-oxo-4-phenylbutan-2-yl)benzamide
CID 15430092
N-(4-amino-4-oxobutan-2-yl)benzamide
CID 47112685
methyl 3-benzamidobutanoate
CID 10857046
N-[(2R)-1,1,1-trideuterio-4-methylpentan-2-yl]benzamide
CID 176730302
N-(1-ethoxypropan-2-yl)benzamide
CID 47903637
3-benzamidobutyl benzoate
CID 151154190
N-[4-(tert-butylamino)-4-oxobutan-2-yl]benzamide
CID 43053096
N-[4-oxo-4-(pentan-2-ylamino)butan-2-yl]benzamide
CID 24639425

Frequently Asked Questions

What is the IUPAC name of N-(1-(18F)fluoropropan-2-yl)(18F)benzamide?
The IUPAC name of N-(1-(18F)fluoropropan-2-yl)(18F)benzamide (CID 177440113) is N-(1-(18F)fluoropropan-2-yl)(18F)benzamide.
What is the SMILES notation for N-(1-(18F)fluoropropan-2-yl)(18F)benzamide?
The canonical SMILES for N-(1-(18F)fluoropropan-2-yl)(18F)benzamide is CC(C[18F])NC(=O)c1ccccc1.
What is the InChIKey of N-(1-(18F)fluoropropan-2-yl)(18F)benzamide?
The InChIKey is RQKUGUIJYIKQJY-KXMUYVCJSA-N. The full InChI is InChI=1S/C10H12FNO/c1-8(7-11)12-10(13)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,12,13)/i11-1.
What are the key properties of N-(1-(18F)fluoropropan-2-yl)(18F)benzamide?
N-(1-(18F)fluoropropan-2-yl)(18F)benzamide has a molecular weight of 180.21 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-(18F)fluoropropan-2-yl)(18F)benzamide is sourced from PubChem (CID 177440113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).