2-(3-aminoprop-1-ynyl)-N-(2-ethoxyethyl)-4-fluorobenzamide

C14H17FN2O2 — CID 60822238

IUPAC2-(3-aminoprop-1-ynyl)-N-(2-ethoxyethyl)-4-fluorobenzamide
SMILESCCOCCNC(=O)c1ccc(F)cc1C#CCN
InChIInChI=1S/C14H17FN2O2/c1-2-19-9-8-17-14(18)13-6-5-12(15)10-11(13)4-3-7-16/h5-6,10H,2,7-9,16H2,1H3,(H,17,18)
InChIKeyFNHPGMCYMFCLNA-UHFFFAOYSA-N
MW264.30 g/mol
LogP0.90
Rot. Bonds5

About 2-(3-aminoprop-1-ynyl)-N-(2-ethoxyethyl)-4-fluorobenzamide

2-(3-aminoprop-1-ynyl)-N-(2-ethoxyethyl)-4-fluorobenzamide (PubChem CID 60822238) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is 2-(3-aminoprop-1-ynyl)-N-(2-ethoxyethyl)-4-fluorobenzamide.

Molecular Properties

Compound Name2-(3-aminoprop-1-ynyl)-N-(2-ethoxyethyl)-4-fluorobenzamide
PubChem CID60822238
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC Name2-(3-aminoprop-1-ynyl)-N-(2-ethoxyethyl)-4-fluorobenzamide
SMILESCCOCCNC(=O)c1ccc(F)cc1C#CCN
InChIInChI=1S/C14H17FN2O2/c1-2-19-9-8-17-14(18)13-6-5-12(15)10-11(13)4-3-7-16/h5-6,10H,2,7-9,16H2,1H3,(H,17,18)
InChIKeyFNHPGMCYMFCLNA-UHFFFAOYSA-N
XLogP0.90
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-ethoxypropyl)-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide
CID 60816580
2-(3-aminoprop-1-ynyl)-4-fluoro-N-(2-methylsulfanylethyl)benzamide
CID 63958382
methyl 2-[[2-(3-aminoprop-1-ynyl)-4-fluorobenzoyl]amino]acetate
CID 60820642
N-[2-(2-amino-2-oxoethoxy)ethyl]-2-(3-aminoprop-1-ynyl)-5-fluorobenzamide
CID 106240734
2-(3-aminoprop-1-ynyl)-N-(2-ethoxyethyl)-4-fluorobenzenesulfonamide
CID 60846049
2-[[2-(3-aminoprop-1-ynyl)-5-fluorobenzoyl]amino]ethyl carbamate
CID 83203785
2-(3-aminoprop-1-ynyl)-4-fluoro-N-(2-pyrazol-1-ylethyl)benzamide
CID 61461537
2-(3-aminoprop-1-ynyl)-4-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]benzamide
CID 65231306
2-(3-aminoprop-1-ynyl)-N-butan-2-yl-4-fluorobenzamide
CID 60821035
2-(3-aminoprop-1-ynyl)-4-fluoro-N-[2-(furan-2-yl)ethyl]benzamide
CID 61471024
2-(3-aminoprop-1-ynyl)-4-fluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 106406938
4-fluoro-2-(4-hydroxybut-1-ynyl)-N-propylbenzamide
CID 60816255

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminoprop-1-ynyl)-N-(2-ethoxyethyl)-4-fluorobenzamide?
The IUPAC name of 2-(3-aminoprop-1-ynyl)-N-(2-ethoxyethyl)-4-fluorobenzamide (CID 60822238) is 2-(3-aminoprop-1-ynyl)-N-(2-ethoxyethyl)-4-fluorobenzamide.
What is the SMILES notation for 2-(3-aminoprop-1-ynyl)-N-(2-ethoxyethyl)-4-fluorobenzamide?
The canonical SMILES for 2-(3-aminoprop-1-ynyl)-N-(2-ethoxyethyl)-4-fluorobenzamide is CCOCCNC(=O)c1ccc(F)cc1C#CCN.
What is the InChIKey of 2-(3-aminoprop-1-ynyl)-N-(2-ethoxyethyl)-4-fluorobenzamide?
The InChIKey is FNHPGMCYMFCLNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2/c1-2-19-9-8-17-14(18)13-6-5-12(15)10-11(13)4-3-7-16/h5-6,10H,2,7-9,16H2,1H3,(H,17,18).
What are the key properties of 2-(3-aminoprop-1-ynyl)-N-(2-ethoxyethyl)-4-fluorobenzamide?
2-(3-aminoprop-1-ynyl)-N-(2-ethoxyethyl)-4-fluorobenzamide has a molecular weight of 264.30 g/mol, XLogP of 0.90, 5 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)-N-(2-ethoxyethyl)-4-fluorobenzamide is sourced from PubChem (CID 60822238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).