N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-5-methylfuran-3-carboxamide

C15H13FN2O2 — CID 114822227

IUPACN-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-5-methylfuran-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(F)c(C#CCN)c2)co1
InChIInChI=1S/C15H13FN2O2/c1-10-7-12(9-20-10)15(19)18-13-4-5-14(16)11(8-13)3-2-6-17/h4-5,7-9H,6,17H2,1H3,(H,18,19)
InChIKeyFNZBTTREYLXNME-UHFFFAOYSA-N
MW272.28 g/mol
LogP2.29
Rot. Bonds2

About N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-5-methylfuran-3-carboxamide

N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-5-methylfuran-3-carboxamide (PubChem CID 114822227) has the molecular formula C15H13FN2O2 and a molecular weight of 272.28 g/mol. Its IUPAC name is N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-5-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-5-methylfuran-3-carboxamide
PubChem CID114822227
Molecular FormulaC15H13FN2O2
Molecular Weight272.28 g/mol
Exact Mass272.10
IUPAC NameN-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-5-methylfuran-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(F)c(C#CCN)c2)co1
InChIInChI=1S/C15H13FN2O2/c1-10-7-12(9-20-10)15(19)18-13-4-5-14(16)11(8-13)3-2-6-17/h4-5,7-9H,6,17H2,1H3,(H,18,19)
InChIKeyFNZBTTREYLXNME-UHFFFAOYSA-N
XLogP2.29
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 52.29
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)-3-fluorophenyl]-5-methylfuran-3-carboxamide
CID 114822220
N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]furan-3-carboxamide
CID 104780865
N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-5-ethylthiophene-2-carboxamide
CID 104780839
N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-5-fluoropyridine-3-carboxamide
CID 104786329
N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-2-methylpyridine-3-carboxamide
CID 104780767
N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-2-methoxyacetamide
CID 113452395
N-[3-(3-aminoprop-1-ynyl)-4-methylphenyl]furan-3-carboxamide
CID 55202900
4-(3-aminoprop-1-ynyl)-N-(4-fluoro-3-methylphenyl)benzamide
CID 62813798
N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]pentanamide
CID 104780807
N-[3-(3-aminoprop-1-ynyl)-4-methylphenyl]-4-methylbenzamide
CID 63334244
N-[3-(3-aminoprop-1-ynyl)-4-methylphenyl]benzamide
CID 63334197
N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-4-hydroxybenzamide
CID 65436068

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-5-methylfuran-3-carboxamide?
The IUPAC name of N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-5-methylfuran-3-carboxamide (CID 114822227) is N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-5-methylfuran-3-carboxamide.
What is the SMILES notation for N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-5-methylfuran-3-carboxamide?
The canonical SMILES for N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-5-methylfuran-3-carboxamide is Cc1cc(C(=O)Nc2ccc(F)c(C#CCN)c2)co1.
What is the InChIKey of N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-5-methylfuran-3-carboxamide?
The InChIKey is FNZBTTREYLXNME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O2/c1-10-7-12(9-20-10)15(19)18-13-4-5-14(16)11(8-13)3-2-6-17/h4-5,7-9H,6,17H2,1H3,(H,18,19).
What are the key properties of N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-5-methylfuran-3-carboxamide?
N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-5-methylfuran-3-carboxamide has a molecular weight of 272.28 g/mol, XLogP of 2.29, 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]-5-methylfuran-3-carboxamide is sourced from PubChem (CID 114822227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).