N-[3-[[2-(3-fluorophenyl)acetyl]amino]propyl]-3-methylfuran-2-carboxamide

C17H19FN2O3 — CID 56793899

IUPACN-[3-[[2-(3-fluorophenyl)acetyl]amino]propyl]-3-methylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)NCCCNC(=O)Cc1cccc(F)c1
InChIInChI=1S/C17H19FN2O3/c1-12-6-9-23-16(12)17(22)20-8-3-7-19-15(21)11-13-4-2-5-14(18)10-13/h2,4-6,9-10H,3,7-8,11H2,1H3,(H,19,21)(H,20,22)
InChIKeyXFSXDAFMCDZOOS-UHFFFAOYSA-N
MW318.35 g/mol
LogP2.21
Rot. Bonds7

About N-[3-[[2-(3-fluorophenyl)acetyl]amino]propyl]-3-methylfuran-2-carboxamide

N-[3-[[2-(3-fluorophenyl)acetyl]amino]propyl]-3-methylfuran-2-carboxamide (PubChem CID 56793899) has the molecular formula C17H19FN2O3 and a molecular weight of 318.35 g/mol. Its IUPAC name is N-[3-[[2-(3-fluorophenyl)acetyl]amino]propyl]-3-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-(3-fluorophenyl)acetyl]amino]propyl]-3-methylfuran-2-carboxamide
PubChem CID56793899
Molecular FormulaC17H19FN2O3
Molecular Weight318.35 g/mol
Exact Mass318.14
IUPAC NameN-[3-[[2-(3-fluorophenyl)acetyl]amino]propyl]-3-methylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)NCCCNC(=O)Cc1cccc(F)c1
InChIInChI=1S/C17H19FN2O3/c1-12-6-9-23-16(12)17(22)20-8-3-7-19-15(21)11-13-4-2-5-14(18)10-13/h2,4-6,9-10H,3,7-8,11H2,1H3,(H,19,21)(H,20,22)
InChIKeyXFSXDAFMCDZOOS-UHFFFAOYSA-N
XLogP2.21
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[[N-[2-(3-fluorophenyl)ethyl]-N'-methylcarbamimidoyl]amino]propyl]-3-methylfuran-2-carboxamide;hydroiodide
CID 111776463
2-cyano-N-[3-[[2-(3-fluorophenyl)acetyl]amino]propyl]acetamide
CID 108924377
N-(3-aminopropyl)-2-(3-fluorophenyl)acetamide
CID 24690236
3-methyl-N-[3-[[N'-methyl-N-(3-phenylpropyl)carbamimidoyl]amino]propyl]furan-2-carboxamide
CID 111773264
N-(4-bromobutyl)-3-methylfuran-2-carboxamide
CID 106845761
N-(4-aminobutyl)-3-methylfuran-2-carboxamide
CID 60895762
N-ethyl-N-[(3-fluorophenyl)methyl]-3-methylfuran-2-carboxamide
CID 134041307
N-[3-[(3-amino-3-phenylpropanoyl)amino]propyl]-3-methylfuran-2-carboxamide
CID 119951886
N-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 112991593
N-[3-[[amino-(3-ethylanilino)methylidene]amino]propyl]-3-methylfuran-2-carboxamide;hydroiodide
CID 111817723
N-[3-[[2-(cyclopropylmethylamino)acetyl]amino]propyl]-3-methylfuran-2-carboxamide;hydrochloride
CID 119798351
N-[3-[(3-amino-2-methylbutanoyl)amino]propyl]-3-methylfuran-2-carboxamide
CID 120501390

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(3-fluorophenyl)acetyl]amino]propyl]-3-methylfuran-2-carboxamide?
The IUPAC name of N-[3-[[2-(3-fluorophenyl)acetyl]amino]propyl]-3-methylfuran-2-carboxamide (CID 56793899) is N-[3-[[2-(3-fluorophenyl)acetyl]amino]propyl]-3-methylfuran-2-carboxamide.
What is the SMILES notation for N-[3-[[2-(3-fluorophenyl)acetyl]amino]propyl]-3-methylfuran-2-carboxamide?
The canonical SMILES for N-[3-[[2-(3-fluorophenyl)acetyl]amino]propyl]-3-methylfuran-2-carboxamide is Cc1ccoc1C(=O)NCCCNC(=O)Cc1cccc(F)c1.
What is the InChIKey of N-[3-[[2-(3-fluorophenyl)acetyl]amino]propyl]-3-methylfuran-2-carboxamide?
The InChIKey is XFSXDAFMCDZOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O3/c1-12-6-9-23-16(12)17(22)20-8-3-7-19-15(21)11-13-4-2-5-14(18)10-13/h2,4-6,9-10H,3,7-8,11H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-[3-[[2-(3-fluorophenyl)acetyl]amino]propyl]-3-methylfuran-2-carboxamide?
N-[3-[[2-(3-fluorophenyl)acetyl]amino]propyl]-3-methylfuran-2-carboxamide has a molecular weight of 318.35 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(3-fluorophenyl)acetyl]amino]propyl]-3-methylfuran-2-carboxamide is sourced from PubChem (CID 56793899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).