2-(3-aminoprop-1-ynyl)-5-fluoro-N-pentan-2-ylbenzamide

C15H19FN2O — CID 60821499

IUPAC2-(3-aminoprop-1-ynyl)-5-fluoro-N-pentan-2-ylbenzamide
SMILESCCCC(C)NC(=O)c1cc(F)ccc1C#CCN
InChIInChI=1S/C15H19FN2O/c1-3-5-11(2)18-15(19)14-10-13(16)8-7-12(14)6-4-9-17/h7-8,10-11H,3,5,9,17H2,1-2H3,(H,18,19)
InChIKeyFAPWYKQLGUOJAZ-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.05
Rot. Bonds4

About 2-(3-aminoprop-1-ynyl)-5-fluoro-N-pentan-2-ylbenzamide

2-(3-aminoprop-1-ynyl)-5-fluoro-N-pentan-2-ylbenzamide (PubChem CID 60821499) has the molecular formula C15H19FN2O and a molecular weight of 262.33 g/mol. Its IUPAC name is 2-(3-aminoprop-1-ynyl)-5-fluoro-N-pentan-2-ylbenzamide.

Molecular Properties

Compound Name2-(3-aminoprop-1-ynyl)-5-fluoro-N-pentan-2-ylbenzamide
PubChem CID60821499
Molecular FormulaC15H19FN2O
Molecular Weight262.33 g/mol
Exact Mass262.15
IUPAC Name2-(3-aminoprop-1-ynyl)-5-fluoro-N-pentan-2-ylbenzamide
SMILESCCCC(C)NC(=O)c1cc(F)ccc1C#CCN
InChIInChI=1S/C15H19FN2O/c1-3-5-11(2)18-15(19)14-10-13(16)8-7-12(14)6-4-9-17/h7-8,10-11H,3,5,9,17H2,1-2H3,(H,18,19)
InChIKeyFAPWYKQLGUOJAZ-UHFFFAOYSA-N
XLogP2.05
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-aminoprop-1-ynyl)-5-fluoro-N-(1-methoxypropan-2-yl)benzamide
CID 54922265
2-(3-aminoprop-1-ynyl)-N-butan-2-yl-4-fluorobenzamide
CID 60821035
4-fluoro-2-(4-hydroxybut-1-ynyl)-N-pentan-2-ylbenzamide
CID 60817366
2-(3-aminoprop-1-ynyl)-5-fluoro-N-(1-methylcyclopentyl)benzamide
CID 64688471
N-[1-(dimethylamino)propan-2-yl]-5-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide
CID 82950139
2-(3-aminoprop-1-ynyl)-N-[2-(carbamoylamino)ethyl]-5-fluorobenzamide
CID 83114793
2-(3-aminoprop-1-ynyl)-N-(cyclopentylmethyl)-5-fluorobenzamide
CID 60822341
2-(3-aminoprop-1-ynyl)-5-fluoro-N-[2-(methanesulfonamido)ethyl]benzamide
CID 60822004
2-[[2-(3-aminoprop-1-ynyl)-5-fluorobenzoyl]amino]ethyl carbamate
CID 83203785
2-(3-aminoprop-1-ynyl)-5-fluoro-N-piperidin-1-ylbenzamide
CID 83022965
N-[2-(2-amino-2-oxoethoxy)ethyl]-2-(3-aminoprop-1-ynyl)-5-fluorobenzamide
CID 106240734
4-(3-aminoprop-1-ynyl)-2-fluoro-N-heptan-2-ylbenzamide
CID 61466718

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminoprop-1-ynyl)-5-fluoro-N-pentan-2-ylbenzamide?
The IUPAC name of 2-(3-aminoprop-1-ynyl)-5-fluoro-N-pentan-2-ylbenzamide (CID 60821499) is 2-(3-aminoprop-1-ynyl)-5-fluoro-N-pentan-2-ylbenzamide.
What is the SMILES notation for 2-(3-aminoprop-1-ynyl)-5-fluoro-N-pentan-2-ylbenzamide?
The canonical SMILES for 2-(3-aminoprop-1-ynyl)-5-fluoro-N-pentan-2-ylbenzamide is CCCC(C)NC(=O)c1cc(F)ccc1C#CCN.
What is the InChIKey of 2-(3-aminoprop-1-ynyl)-5-fluoro-N-pentan-2-ylbenzamide?
The InChIKey is FAPWYKQLGUOJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O/c1-3-5-11(2)18-15(19)14-10-13(16)8-7-12(14)6-4-9-17/h7-8,10-11H,3,5,9,17H2,1-2H3,(H,18,19).
What are the key properties of 2-(3-aminoprop-1-ynyl)-5-fluoro-N-pentan-2-ylbenzamide?
2-(3-aminoprop-1-ynyl)-5-fluoro-N-pentan-2-ylbenzamide has a molecular weight of 262.33 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminoprop-1-ynyl)-5-fluoro-N-pentan-2-ylbenzamide is sourced from PubChem (CID 60821499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).