N-[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]furan-3-carboxamide

C14H11FN2O2 — CID 60804299

IUPACN-[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]furan-3-carboxamide
SMILESNCC#Cc1ccc(NC(=O)c2ccoc2)c(F)c1
InChIInChI=1S/C14H11FN2O2/c15-12-8-10(2-1-6-16)3-4-13(12)17-14(18)11-5-7-19-9-11/h3-5,7-9H,6,16H2,(H,17,18)
InChIKeyLHCFIIJLRFRBBJ-UHFFFAOYSA-N
MW258.25 g/mol
LogP1.98
Rot. Bonds2

About N-[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]furan-3-carboxamide

N-[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]furan-3-carboxamide (PubChem CID 60804299) has the molecular formula C14H11FN2O2 and a molecular weight of 258.25 g/mol. Its IUPAC name is N-[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]furan-3-carboxamide
PubChem CID60804299
Molecular FormulaC14H11FN2O2
Molecular Weight258.25 g/mol
Exact Mass258.08
IUPAC NameN-[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]furan-3-carboxamide
SMILESNCC#Cc1ccc(NC(=O)c2ccoc2)c(F)c1
InChIInChI=1S/C14H11FN2O2/c15-12-8-10(2-1-6-16)3-4-13(12)17-14(18)11-5-7-19-9-11/h3-5,7-9H,6,16H2,(H,17,18)
InChIKeyLHCFIIJLRFRBBJ-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-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]furan-3-carboxamide
CID 81292862
[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]urea
CID 60814279
N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]furan-3-carboxamide
CID 104780865
N-[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]-1,2-oxazole-5-carboxamide
CID 60804103
N-[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]-2-hydroxybenzamide
CID 60804128
N-[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]-4-chloro-1-methylpyrrole-2-carboxamide
CID 60804116
N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-6-oxopyran-3-carboxamide
CID 60802943
1-[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]-3-tert-butylurea
CID 54922971
1-[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]-3-cyclopropylurea
CID 62698555
N-[2-chloro-5-(4-hydroxybut-1-ynyl)phenyl]furan-3-carboxamide
CID 62914509
N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]furan-3-carboxamide
CID 60803152
N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-4-methylbenzamide
CID 60804157

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]furan-3-carboxamide?
The IUPAC name of N-[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]furan-3-carboxamide (CID 60804299) is N-[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]furan-3-carboxamide.
What is the SMILES notation for N-[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]furan-3-carboxamide?
The canonical SMILES for N-[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]furan-3-carboxamide is NCC#Cc1ccc(NC(=O)c2ccoc2)c(F)c1.
What is the InChIKey of N-[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]furan-3-carboxamide?
The InChIKey is LHCFIIJLRFRBBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O2/c15-12-8-10(2-1-6-16)3-4-13(12)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-[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]furan-3-carboxamide?
N-[4-(3-aminoprop-1-ynyl)-2-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-[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]furan-3-carboxamide is sourced from PubChem (CID 60804299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).