N-[2-(3-aminoprop-1-ynyl)phenyl]-2-chlorofuran-3-carboxamide

C14H11ClN2O2 — CID 106688746

IUPACN-[2-(3-aminoprop-1-ynyl)phenyl]-2-chlorofuran-3-carboxamide
SMILESNCC#Cc1ccccc1NC(=O)c1ccoc1Cl
InChIInChI=1S/C14H11ClN2O2/c15-13-11(7-9-19-13)14(18)17-12-6-2-1-4-10(12)5-3-8-16/h1-2,4,6-7,9H,8,16H2,(H,17,18)
InChIKeyWYUUCDBRFMOWLD-UHFFFAOYSA-N
MW274.71 g/mol
LogP2.50
Rot. Bonds2

About N-[2-(3-aminoprop-1-ynyl)phenyl]-2-chlorofuran-3-carboxamide

N-[2-(3-aminoprop-1-ynyl)phenyl]-2-chlorofuran-3-carboxamide (PubChem CID 106688746) has the molecular formula C14H11ClN2O2 and a molecular weight of 274.71 g/mol. Its IUPAC name is N-[2-(3-aminoprop-1-ynyl)phenyl]-2-chlorofuran-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-aminoprop-1-ynyl)phenyl]-2-chlorofuran-3-carboxamide
PubChem CID106688746
Molecular FormulaC14H11ClN2O2
Molecular Weight274.71 g/mol
Exact Mass274.05
IUPAC NameN-[2-(3-aminoprop-1-ynyl)phenyl]-2-chlorofuran-3-carboxamide
SMILESNCC#Cc1ccccc1NC(=O)c1ccoc1Cl
InChIInChI=1S/C14H11ClN2O2/c15-13-11(7-9-19-13)14(18)17-12-6-2-1-4-10(12)5-3-8-16/h1-2,4,6-7,9H,8,16H2,(H,17,18)
InChIKeyWYUUCDBRFMOWLD-UHFFFAOYSA-N
XLogP2.50
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.71
LogP ≤ 52.50
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-[2-(3-aminoprop-1-ynyl)phenyl]-2-chloro-5-hydroxybenzamide
CID 106502755
N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-2-chlorofuran-3-carboxamide
CID 106688777
N-[2-(2-aminoethylcarbamoyl)phenyl]-2-chlorofuran-3-carboxamide
CID 106999665
N-[2-(3-aminoprop-1-ynyl)phenyl]-2-methoxybenzamide
CID 60802368
N-[2-(3-aminoprop-1-ynyl)phenyl]-2-oxo-1H-pyridine-3-carboxamide
CID 60803050
N-[2-(3-aminoprop-1-ynyl)phenyl]thiadiazole-5-carboxamide
CID 65215727
N-[2-(3-aminoprop-1-ynyl)phenyl]-5-methylpyrazine-2-carboxamide
CID 62201045
N-[2-(3-aminoprop-1-ynyl)phenyl]-4-fluoro-2-hydroxybenzamide
CID 107016183
N-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-2-chloro-N-methylfuran-3-carboxamide
CID 106688761
N-[2-(3-aminoprop-1-ynyl)phenyl]-3-chloro-5-methylbenzamide
CID 81315690
N-[2-(3-aminoprop-1-ynyl)phenyl]thiophene-2-carboxamide
CID 54923009
2-(3-aminoprop-1-ynyl)-N-(2,4-dichlorophenyl)benzamide
CID 60820786

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-aminoprop-1-ynyl)phenyl]-2-chlorofuran-3-carboxamide?
The IUPAC name of N-[2-(3-aminoprop-1-ynyl)phenyl]-2-chlorofuran-3-carboxamide (CID 106688746) is N-[2-(3-aminoprop-1-ynyl)phenyl]-2-chlorofuran-3-carboxamide.
What is the SMILES notation for N-[2-(3-aminoprop-1-ynyl)phenyl]-2-chlorofuran-3-carboxamide?
The canonical SMILES for N-[2-(3-aminoprop-1-ynyl)phenyl]-2-chlorofuran-3-carboxamide is NCC#Cc1ccccc1NC(=O)c1ccoc1Cl.
What is the InChIKey of N-[2-(3-aminoprop-1-ynyl)phenyl]-2-chlorofuran-3-carboxamide?
The InChIKey is WYUUCDBRFMOWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O2/c15-13-11(7-9-19-13)14(18)17-12-6-2-1-4-10(12)5-3-8-16/h1-2,4,6-7,9H,8,16H2,(H,17,18).
What are the key properties of N-[2-(3-aminoprop-1-ynyl)phenyl]-2-chlorofuran-3-carboxamide?
N-[2-(3-aminoprop-1-ynyl)phenyl]-2-chlorofuran-3-carboxamide has a molecular weight of 274.71 g/mol, XLogP of 2.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-aminoprop-1-ynyl)phenyl]-2-chlorofuran-3-carboxamide is sourced from PubChem (CID 106688746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).