2-(3-aminoprop-1-ynyl)-4-fluoro-N-[2-(furan-2-yl)ethyl]benzamide

C16H15FN2O2 — CID 61471024

IUPAC2-(3-aminoprop-1-ynyl)-4-fluoro-N-[2-(furan-2-yl)ethyl]benzamide
SMILESNCC#Cc1cc(F)ccc1C(=O)NCCc1ccco1
InChIInChI=1S/C16H15FN2O2/c17-13-5-6-15(12(11-13)3-1-8-18)16(20)19-9-7-14-4-2-10-21-14/h2,4-6,10-11H,7-9,18H2,(H,19,20)
InChIKeyYXTZSHDZGRJZBS-UHFFFAOYSA-N
MW286.31 g/mol
LogP1.70
Rot. Bonds4

About 2-(3-aminoprop-1-ynyl)-4-fluoro-N-[2-(furan-2-yl)ethyl]benzamide

2-(3-aminoprop-1-ynyl)-4-fluoro-N-[2-(furan-2-yl)ethyl]benzamide (PubChem CID 61471024) has the molecular formula C16H15FN2O2 and a molecular weight of 286.31 g/mol. Its IUPAC name is 2-(3-aminoprop-1-ynyl)-4-fluoro-N-[2-(furan-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-(3-aminoprop-1-ynyl)-4-fluoro-N-[2-(furan-2-yl)ethyl]benzamide
PubChem CID61471024
Molecular FormulaC16H15FN2O2
Molecular Weight286.31 g/mol
Exact Mass286.11
IUPAC Name2-(3-aminoprop-1-ynyl)-4-fluoro-N-[2-(furan-2-yl)ethyl]benzamide
SMILESNCC#Cc1cc(F)ccc1C(=O)NCCc1ccco1
InChIInChI=1S/C16H15FN2O2/c17-13-5-6-15(12(11-13)3-1-8-18)16(20)19-9-7-14-4-2-10-21-14/h2,4-6,10-11H,7-9,18H2,(H,19,20)
InChIKeyYXTZSHDZGRJZBS-UHFFFAOYSA-N
XLogP1.70
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-aminoprop-1-ynyl)-4-fluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 106406938
5-fluoro-N-[2-(furan-2-yl)ethyl]-2-hydroxybenzamide
CID 79883377
2-(3-aminoprop-1-ynyl)-4-fluoro-N-[1-(furan-2-yl)ethyl]benzamide
CID 60821638
2-(3-aminoprop-1-ynyl)-4-fluoro-N-(2-methylsulfanylethyl)benzamide
CID 63958382
2-(3-aminoprop-1-ynyl)-4-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]benzamide
CID 65231306
2-(3-aminoprop-1-ynyl)-N-(2-ethoxyethyl)-4-fluorobenzamide
CID 60822238
6-(4-fluorophenyl)-N-[2-(furan-2-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 66497779
2-(3-aminoprop-1-ynyl)-4-fluoro-N-(2-pyrazol-1-ylethyl)benzamide
CID 61461537
methyl 2-[[2-(3-aminoprop-1-ynyl)-4-fluorobenzoyl]amino]acetate
CID 60820642
N-(3-amino-3-oxopropyl)-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide
CID 60821465
N-[2-(furan-2-yl)ethyl]-2-(3-hydroxyprop-1-ynyl)-5-methylbenzamide
CID 81112689
2-(3-aminoprop-1-ynyl)-N-[2-(carbamoylamino)ethyl]-5-fluorobenzamide
CID 83114793

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminoprop-1-ynyl)-4-fluoro-N-[2-(furan-2-yl)ethyl]benzamide?
The IUPAC name of 2-(3-aminoprop-1-ynyl)-4-fluoro-N-[2-(furan-2-yl)ethyl]benzamide (CID 61471024) is 2-(3-aminoprop-1-ynyl)-4-fluoro-N-[2-(furan-2-yl)ethyl]benzamide.
What is the SMILES notation for 2-(3-aminoprop-1-ynyl)-4-fluoro-N-[2-(furan-2-yl)ethyl]benzamide?
The canonical SMILES for 2-(3-aminoprop-1-ynyl)-4-fluoro-N-[2-(furan-2-yl)ethyl]benzamide is NCC#Cc1cc(F)ccc1C(=O)NCCc1ccco1.
What is the InChIKey of 2-(3-aminoprop-1-ynyl)-4-fluoro-N-[2-(furan-2-yl)ethyl]benzamide?
The InChIKey is YXTZSHDZGRJZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O2/c17-13-5-6-15(12(11-13)3-1-8-18)16(20)19-9-7-14-4-2-10-21-14/h2,4-6,10-11H,7-9,18H2,(H,19,20).
What are the key properties of 2-(3-aminoprop-1-ynyl)-4-fluoro-N-[2-(furan-2-yl)ethyl]benzamide?
2-(3-aminoprop-1-ynyl)-4-fluoro-N-[2-(furan-2-yl)ethyl]benzamide has a molecular weight of 286.31 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminoprop-1-ynyl)-4-fluoro-N-[2-(furan-2-yl)ethyl]benzamide is sourced from PubChem (CID 61471024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).