N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]furan-3-carboxamide

C14H11FN2O2 — CID 104780865

IUPACN-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]furan-3-carboxamide
SMILESNCC#Cc1cc(NC(=O)c2ccoc2)ccc1F
InChIInChI=1S/C14H11FN2O2/c15-13-4-3-12(8-10(13)2-1-6-16)17-14(18)11-5-7-19-9-11/h3-5,7-9H,6,16H2,(H,17,18)
InChIKeyRRWPZUPNEUUBLP-UHFFFAOYSA-N
MW258.25 g/mol
LogP1.98
Rot. Bonds2

About N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]furan-3-carboxamide

N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]furan-3-carboxamide (PubChem CID 104780865) has the molecular formula C14H11FN2O2 and a molecular weight of 258.25 g/mol. Its IUPAC name is N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]furan-3-carboxamide
PubChem CID104780865
Molecular FormulaC14H11FN2O2
Molecular Weight258.25 g/mol
Exact Mass258.08
IUPAC NameN-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]furan-3-carboxamide
SMILESNCC#Cc1cc(NC(=O)c2ccoc2)ccc1F
InChIInChI=1S/C14H11FN2O2/c15-13-4-3-12(8-10(13)2-1-6-16)17-14(18)11-5-7-19-9-11/h3-5,7-9H,6,16H2,(H,17,18)
InChIKeyRRWPZUPNEUUBLP-UHFFFAOYSA-N
XLogP1.98
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 51.98
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

N-[3-(3-aminoprop-1-ynyl)-4-methylphenyl]furan-3-carboxamide
CID 55202900
N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-5-methylfuran-3-carboxamide
CID 114822227
N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-5-fluoropyridine-3-carboxamide
CID 104786329
N-[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]furan-3-carboxamide
CID 60804299
N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-5-ethylthiophene-2-carboxamide
CID 104780839
N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-5-methylfuran-3-carboxamide
CID 114822220
N-[3-(4-hydroxybut-1-ynyl)-4-methylphenyl]furan-3-carboxamide
CID 63334275
N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-4-hydroxybenzamide
CID 65436068
N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-2-phenylacetamide
CID 104780831
N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-2-methoxyacetamide
CID 113452395
N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-2-methylpyridine-3-carboxamide
CID 104780767
N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]pentanamide
CID 104780807

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]furan-3-carboxamide?
The IUPAC name of N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]furan-3-carboxamide (CID 104780865) is N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]furan-3-carboxamide.
What is the SMILES notation for N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]furan-3-carboxamide?
The canonical SMILES for N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]furan-3-carboxamide is NCC#Cc1cc(NC(=O)c2ccoc2)ccc1F.
What is the InChIKey of N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]furan-3-carboxamide?
The InChIKey is RRWPZUPNEUUBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O2/c15-13-4-3-12(8-10(13)2-1-6-16)17-14(18)11-5-7-19-9-11/h3-5,7-9H,6,16H2,(H,17,18).
What are the key properties of N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]furan-3-carboxamide?
N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]furan-3-carboxamide has a molecular weight of 258.25 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]furan-3-carboxamide is sourced from PubChem (CID 104780865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).