4-(18F)fluoro-N-prop-2-ynyl(18F)benzamide

C10H8FNO — CID 87412012

IUPAC4-(18F)fluoro-N-prop-2-ynyl(18F)benzamide
SMILESC#CCNC(=O)c1ccc([18F])cc1
InChIInChI=1S/C10H8FNO/c1-2-7-12-10(13)8-3-5-9(11)6-4-8/h1,3-6H,7H2,(H,12,13)/i11-1
InChIKeyNXBDZSMRZFFVBA-KXMUYVCJSA-N
MW176.18 g/mol
LogP1.19
Rot. Bonds2

About 4-(18F)fluoro-N-prop-2-ynyl(18F)benzamide

4-(18F)fluoro-N-prop-2-ynyl(18F)benzamide (PubChem CID 87412012) has the molecular formula C10H8FNO and a molecular weight of 176.18 g/mol. Its IUPAC name is 4-(18F)fluoro-N-prop-2-ynyl(18F)benzamide.

Molecular Properties

Compound Name4-(18F)fluoro-N-prop-2-ynyl(18F)benzamide
PubChem CID87412012
Molecular FormulaC10H8FNO
Molecular Weight176.18 g/mol
Exact Mass176.06
IUPAC Name4-(18F)fluoro-N-prop-2-ynyl(18F)benzamide
SMILESC#CCNC(=O)c1ccc([18F])cc1
InChIInChI=1S/C10H8FNO/c1-2-7-12-10(13)8-3-5-9(11)6-4-8/h1,3-6H,7H2,(H,12,13)/i11-1
InChIKeyNXBDZSMRZFFVBA-KXMUYVCJSA-N
XLogP1.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-but-2-ynyl-4-fluorobenzamide
CID 115866848
4-(4-ethynylphenyl)-N-prop-2-ynylbenzamide
CID 138484608
4-amino-3-fluoro-N-prop-2-ynylbenzamide
CID 62678151
4-fluoro-N-[(2S)-4-methyl-1-oxo-1-(prop-2-ynylamino)hexan-2-yl]benzamide
CID 46700845
4-[3-(4-fluorophenyl)pyrazol-1-yl]sulfonyl-N-prop-2-ynylbenzamide
CID 164807065
4-(4-acetylphenoxy)-N-prop-2-ynylbenzamide
CID 167852526
4-fluoro-N-[3-[(4-fluorobenzoyl)amino]propyl]benzamide
CID 2841750
6-[[(1R,2S)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]amino]-N-prop-2-ynylpyridine-3-carboxamide
CID 99828598
N-prop-2-ynyl-4-pyrazol-1-ylbenzamide
CID 30601389
2-amino-4-fluoro-N-prop-2-ynylbenzamide
CID 62074165
4-fluoro-N-(2-fluoroethyl)benzamide
CID 130478179
4-methyl-N-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamide
CID 18110113

Frequently Asked Questions

What is the IUPAC name of 4-(18F)fluoro-N-prop-2-ynyl(18F)benzamide?
The IUPAC name of 4-(18F)fluoro-N-prop-2-ynyl(18F)benzamide (CID 87412012) is 4-(18F)fluoro-N-prop-2-ynyl(18F)benzamide.
What is the SMILES notation for 4-(18F)fluoro-N-prop-2-ynyl(18F)benzamide?
The canonical SMILES for 4-(18F)fluoro-N-prop-2-ynyl(18F)benzamide is C#CCNC(=O)c1ccc([18F])cc1.
What is the InChIKey of 4-(18F)fluoro-N-prop-2-ynyl(18F)benzamide?
The InChIKey is NXBDZSMRZFFVBA-KXMUYVCJSA-N. The full InChI is InChI=1S/C10H8FNO/c1-2-7-12-10(13)8-3-5-9(11)6-4-8/h1,3-6H,7H2,(H,12,13)/i11-1.
What are the key properties of 4-(18F)fluoro-N-prop-2-ynyl(18F)benzamide?
4-(18F)fluoro-N-prop-2-ynyl(18F)benzamide has a molecular weight of 176.18 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(18F)fluoro-N-prop-2-ynyl(18F)benzamide is sourced from PubChem (CID 87412012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).